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• 4-(2-Aminoethyl)benzenesulphonyl fluoride hydrochloride
IUPAC Name: 4-(2-aminoethyl)benzenesulfonyl fluoride hydrochloride | CAS Registry Number: 30827-99-7
Synonyms: Pefabloc SC, AEBSF, AEBSF, Hydrochloride, MLS002153464, A8456_SIAL, 76307_FLUKA, CID186136, NSC727364, SBB003219, EU-0100132, NCGC00093623-01, SMR001230821, 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride, 4-(2-Aminoethyl)benzenesulfonylfluoride, HCl, A-5440

Molecular Formula: C8H11ClFNO2SMolecular Weight: 239.694843 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WRDABNWSWOHGMS-UHFFFAOYSA-N

• 2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid
IUPAC Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid | CAS Registry Number: 325850-81-5
Synonyms: F0223-0003, BAS 00666317, AC1MJMO4, UNII-M3L07R4ZEP, MolPort-000-691-587, CCG-21963, STK806571, AKOS000522976, GRI-977143, MCULE-6167327821, ST50507421, 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid, 2-((3-(1,3-Dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)benzoic acid, 2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid, 2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}benzoic acid, Benzoic acid, 2-((3-(1,3-dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)-

Molecular Formula: C22H17NO4SMolecular Weight: 391.439680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GMVZUCHUOYUMLL-UHFFFAOYSA-N

• 5-Aminoimidazole-4-carboxamide-1-beta-riboside
IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide | CAS Registry Number: 2627-69-2
Synonyms: ACADESINE, AICA-riboside, Arasine, Protara, AIC-Riboside, Z-Riboside, AICA riboside, AICA, AICAR, Acadesine (USAN/INN), Acadesinum [INN-Latin], Acadesina [INN-Spanish], Acadesine [USAN:BAN:INN], AIDS016108, AIDS-016108, EINECS 220-097-5, HSCI1_000213, NSC105823, GP-1-110, NSC 105823

Molecular Formula: C9H14N4O5Molecular Weight: 258.231260 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: RTRQQBHATOEIAF-UUOKFMHZSA-N

• 1h-Imidazole, 1-[2-(4-Methoxyphenyl)-2-[3-(4-Methoxyphenyl)propoxy]ethyl]-, Monohydrochloride
IUPAC Name: 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole hydrochloride | CAS Registry Number: 130495-35-1
Synonyms: Skf 96365, SKF-96365, Hydrochloride, S7809_SIGMA, CID104955, IN1088, SKF-96365, SK&F 96365, SK & F 96365, LS-183351, 1-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole hydrochloride, 1-[ beta-[3-(4-Methoxyphenyl)propoxy]- 4-methoxyphenethyl]-1H-imidazole, 1-[2-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole, 1H-Imidazole, 1-(2-(4-methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)-, monohydrochloride, 1-[beta-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenethyl]-1H-imidazole hydrochloride, 1-[beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl]-1H-imidazole, HCl

Molecular Formula: C22H27ClN2O3Molecular Weight: 402.914380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FWLPKVQUECFKSW-UHFFFAOYSA-N

• 1-OLEOYL-SN-GLYCERO-3-PHOSPHONATE SODIUM SALT
IUPAC Name: sodium [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate | CAS Registry Number: 22556-62-3
Synonyms: Oleoyl-lysophosphatidic acid, CID6441430

Molecular Formula: C21H40NaO7PMolecular Weight: 458.501631 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: XGRLSUFHELJJAB-KVVVOXFISA-M

• (24S)-24,25-Epoxycholestero
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 77058-74-3
Synonyms: Spectrum5_001979, 24(S),25-Epoxycholesterol, 24(S), 25-epoxycholesterol, CHEBI:386965, 24,25(S)-EPOXYCHOLESTEROL, LMST01010012, CID3247059, C15632, 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL, (3S,8S,9S,10R,13R,14S,17R)-17-((R)-4-((S)-3,3-dimethyloxiran-2-yl)butan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, CO1

Molecular Formula: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OSENKJZWYQXHBN-XVYZBDJZSA-N

• 4-(3-Chloroanilino)-6,7-dimethoxyquinazoline
IUPAC Name: N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 175178-82-2
Synonyms: Tyrphostin AG 1478, AG 1478, N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine, 153436-53-4, Tyrphostin AG-1478, AG-1478, AG1478, AG-1478 hydrochloride, N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine, CHEBI:75404, IN1030, NSC 693255, TYRPHOSTIN, n-(3-chlorphenyl)-6,7-dimethoxy-4-chinazolinamin, N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine, 6,7-Dimethoxy-4-[N-(3-chlorophenyl)amino]quinazoline hydrochloride, NSC693255, tyrphostin AG1478, N-(3-CHLOROPHENYL)-6,7-DIMETHOXY-4-QUINAZOLINAMINE HYDROCHLORIDE, PubChem22408

Molecular Formula: C16H14ClN3O2Molecular Weight: 315.754260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GFNNBHLJANVSQV-UHFFFAOYSA-N

• 8-(1H-IMIDAZOL-4-YLMETHYLENE)-6,8-DIHYDRO-THIAZOLO[5,4-E]INDOL-7-ONE
IUPAC Name: (8E)-8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one | CAS Registry Number: 608512-97-6
Synonyms: C16 (PKR inhibitor), SureCN1395124, Imidazolo-oxindole PKR inhibitor C16, 6,8-Dihydro-8-(1H-imidazol-5-ylmethylene)-7H-pyrrolo[2,3-g]benzothiazol-7-one

Molecular Formula: C13H8N4OSMolecular Weight: 268.293820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VFBGXTUGODTSPK-FPYGCLRLSA-N

• 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-b-oxo-, (3R,4R)-
IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile | CAS Registry Number: 477600-75-2
Synonyms: Tasocitinib, Tofacitinib, CP-690550, CP 690550, 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, UNII-87LA6FU830, CHEBI:71200, Tofacitinib (USAN), Tofacitinib [USAN], CP690550, 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, CP-690550, Tasocitinib, CP690550, tofacitinibum, 3eyg, 3fup, 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, Tasocitinib [INN], PubChem16767, Tofacitinib [USAN:INN], SureCN322753

Molecular Formula: C16H20N6OMolecular Weight: 312.369600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N

• 5-Azacytidine
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 320-67-2
Synonyms: 5-azacytidine, Azacitidine, Azacytidine, Ladakamycin, Vidaza, Mylosar, mylo sar, 5-azacitidine, Azacytidine, 5-, 5AzaC, Vidaza (TN), Azacitidinum [INN-Latin], Antibiotic U 18496, Azacitidina [INN-Spanish], 5-aza-CR, Azacitidine [USAN:INN], Spectrum_001262, 5-AZAC, 5-AZCR, CCRIS 60

Molecular Formula: C8H12N4O5Molecular Weight: 244.204680 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: NMUSYJAQQFHJEW-KVTDHHQDSA-N

• 7-Ethyl-10-Hydroxycamptothecin
Synonyms: Camptothecin analog, SN-38, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-

Molecular Formula: C22H20N2O5Molecular Weight: 392.404600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• 2-CYANO-3-(1-PHENYLINDOL-3-YL)ACRYLATE
IUPAC Name: (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid | CAS Registry Number: 56396-35-1
Synonyms: 2-Cpiya, UK 5099, CID6438504, 2-Cyano-3-(1-phenylindol-3-yl)acrylate, alpha-Cyano-beta-(1-phenylindol-3-yl)acrylate, 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-

Molecular Formula: C18H12N2O2Molecular Weight: 288.300080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BIZNHCWFGNKBBZ-JLHYYAGUSA-N

• 1H-Indole,6-fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-
IUPAC Name: 6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole | CAS Registry Number: 163239-22-3
Synonyms: CHEMBL355606, 680C91, SCHEMBL3262721, SCHEMBL3262726, MolPort-023-277-173, AKOS024458137, 6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole

Molecular Formula: C15H11FN2Molecular Weight: 238.259643 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBSDQTBCNYWBMX-ONEGZZNKSA-N

• 4-AMINO-[2',3'-BITHIOPHENE]-5-CARBOXAMIDE
IUPAC Name: 3-amino-5-thiophen-3-ylthiophene-2-carboxamide | CAS Registry Number: 354812-17-2
Synonyms: SC-514, IKK-2 Inhibitor, SC-514, InSolution™ IKK-2 Inhibitor, SC-514, Sc 514, Curator_000007, BiomolKI_000076, BiomolKI2_000080, AC1MD9M6, SureCN4082097, Oprea1_591652, CHEMBL193093, CTK8E9458, MolPort-003-850-228, SC514, DNC005318, ZINC00081904, CCG-100680, CS-1388, GK01140, NCGC00163392-01

Molecular Formula: C9H8N2OS2Molecular Weight: 224.302620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BMUACLADCKCNKZ-UHFFFAOYSA-N

• 4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide
IUPAC Name: N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide | CAS Registry Number: 393514-24-4
Synonyms: BCTC, SureCN1269620, CHEMBL441472, CTK8F0011, CHEBI:298372, MolPort-003-983-482, DCL000063, N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide, N-(4-tertiarybutylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carbox-amide

Molecular Formula: C20H25ClN4OMolecular Weight: 372.891700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ROGUAPYLUCHQGK-UHFFFAOYSA-N

• 2-Morpholin-4-Yl-6-Thianthren-1-Ylpyran-4-One
IUPAC Name: 2-morpholin-4-yl-6-thianthren-1-ylpyran-4-one | CAS Registry Number: 587871-26-9
Synonyms: nchembio.63-comp3, nchembio800-comp3, nchembio800_comp3, ATM Kinase Inhibitor, CHEBI:472228, AIDS284437, KU-55933, AIDS-284437, 2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one, CID5278396, EC-000.1920, 2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one, C495818, 2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one, CU-00000000010-1, 4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-

Molecular Formula: C21H17NO3S2Molecular Weight: 395.494580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XRKYMMUGXMWDAO-UHFFFAOYSA-N

• 5-Fluorocytidine
IUPAC Name: 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 10356-76-0
Synonyms: FdCyd, Fluorodeoxycytidine, 2'-Deoxy-5-fluorocytidine, AIDS191762, 5-FLUORO-2'-DEOXYCYTIDINE, AIDS-191762, CID515328, ZINC17311164, TL8000154, 4-Amino-5-fluoro-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one

Molecular Formula: C9H12FN3O4Molecular Weight: 245.207683 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: IDYKCXHJJGMAEV-RRKCRQDMSA-N

• 4-?[(3-?carboxy-?1-?oxo-?2-?propen-?1-?yl)amino]-?5-?methyl ester-?[2,?2'-?bithiophene]-?5-?carboxylic acid
IUPAC Name: 4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid | CAS Registry Number: 682741-29-3
Synonyms: AC1MDEA7, 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, HTS 01037, 4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid

Molecular Formula: C14H11NO5S2Molecular Weight: 337.370840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: GJODSFZNKNHKML-UHFFFAOYSA-N

• 11-Piperazynil-Dibenzo[b,f][1,4]Thiazepine dihydrochloride
IUPAC Name: 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride | CAS Registry Number: 111974-74-4
Synonyms: 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride, 11-Piperazynil-Dibenzo[b,f][1,4]Thiazepine 2HCL, 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine 2hcl, 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride, 11-piperazinodibenzo(b,f)(1,4)thiazepine dihydrochloride, 11-(1-piperazinyl)-dibenzo(b,f)(1,4)thiazepine dihydrochloride, ACMC-209tvy, SureCN8507, KSC497C0T, CTK3J7109, MolPort-003-986-237, ACN-S002262, ANW-43004, AKOS015895322, AC-1919, AK-26935, I862, KB-10985, TL8000349, AM20020202

Molecular Formula: C17H19Cl2N3SMolecular Weight: 368.323860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PZQCQHZDUIIKFU-UHFFFAOYSA-N

• 2-(3-aminopropyl)-aminoethyl-phosphorothioate (Amifostin)
IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid | CAS Registry Number: 20537-88-6
Synonyms: amifostine, Ethiofos, Gammaphos, Ethyol, Sapep, Apaetp, WR 2721, Aminopropylaminoethyl thiophosphate, NSC296961, NSC-296961, AU-95722, UNII-ILA426L95O, YM-08310, 2-(3-Aminopropylamino)ethyl thiophosphate, CHEBI:2636, NSC 296961, S-(2-(3-Aminopropylamino)ethyl) phosphorothioate, WR 2721C, Amifostina, Amifostinum

Molecular Formula: C5H15N2O3PSMolecular Weight: 214.222962 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: JKOQGQFVAUAYPM-UHFFFAOYSA-N

• (3e,5e)-3,5-bis((4-nitrophenyl)methylene)-1-(1-oxo-2-propen-1-yl)-4-piperidinone
IUPAC Name: (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one | CAS Registry Number: 1009817-63-3
Synonyms: NSC687852, AC1NS0JO, b-AP15, CHEMBL158037, NSC-687852, S4920,1009817-63-3, 4-Piperidinone,5-bis[(4-nitrophenyl)methylene]- 1-(1-oxo-2-propenyl)-, (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one

Molecular Formula: C22H17N3O6Molecular Weight: 419.386880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: GFARQYQBWJLZMW-JYFOCSDGSA-N

• 2,3-DIMETHOXY-1,4-NAPHTHOQUINONE
IUPAC Name: 2,3-dimethoxynaphthalene-1,4-dione | CAS Registry Number: 6956-96-3
Synonyms: dmnq, DiMeNQ, 2,3-Dimethoxy-1,4-naphthoquinone, Lopac-D-5439, 2,3-Dimethoxynaphthoquinone, NCIOpen2_003296, Lopac0_000399, D5439_SIGMA, STOCK1N-09172, CID3136, CHEBI:532377, MolPort-002-510-862, 2,3-dimethoxy-1,4-naphthaquinone, 2,3-Dimethoxy[1,4]naphthoquinone, NSC69355, 2,3-dimethoxynaphthalene-1,4-dione, IN1354, NSC 69355, ZINC00518909, 1,4-Naphthalenedione, 2,3-dimethoxy-

Molecular Formula: C12H10O4Molecular Weight: 218.205400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZEGDFCCYTFPECB-UHFFFAOYSA-N

• (Z)-1-[2-(2-aminoethyl)-N-(2-ammonioethyl)amino]diazen-1-ium-1,2-diolate
IUPAC Name: N-[bis(2-aminoethyl)amino]-N-hydroxynitrous amide | CAS Registry Number: 146724-94-9
Synonyms: DETA NONOate, noc-18, DETA-NONOate, AEED/NO, NOC 18, A5581_SIGMA, CID1606, MolPort-003-847-966, MolPort-003-940-215, NSC653048, AIDS140616, AIDS-140616, 2,2'-(Hydroxynitrosohydrazino)bis-ethanamine, LS-65055, NCI60_018573, 1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane, 1,1-Bis(2-aminoethyl)-3-hydroxytriazane 2-oxide, 3,3-bis(Aminoethyl)-1-hydroxy-2-oxo-1-triazene, C093285, 1-Hydroxy-2-oxo-3,3-bis(3-aminoethyl)-1-triazene

Molecular Formula: C4H13N5O2Molecular Weight: 163.178320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: HMRRJTFDJAVRMR-UHFFFAOYSA-N

• 2-Methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
IUPAC Name: 2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide | CAS Registry Number: 883031-03-6
Synonyms: AC1MCFA7, CTK8E9805, MolPort-002-923-016, ZINC20224140, NCGC00263214-01, 2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide, HC 067047, 2-methyl-1-(3-morpholinopropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

Molecular Formula: C26H28F3N3O2Molecular Weight: 471.514630 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: NCZYSQOTAYFTNM-UHFFFAOYSA-N

• 5,25R-Cholesten-3beta,26-diol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 20380-11-4
Synonyms: 27-hydroxycholesterol, 26-Hydroxycholesterol, Cholest-5-ene-3beta,27-diol, CHEBI:387060, CID123976, LMST01010088, Cholest-5-ene-3beta,26-diol, (25R)-, Cholest-5-ene-3,26,diol, (3beta,25R)-, 17-(6-Hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FYHRJWMENCALJY-YSQMORBQSA-N

• 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid
IUPAC Name: 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid | CAS Registry Number: 53188-07-1
Synonyms: trolox, TROLOX C, Prestwick_855, Prestwick0_000530, Prestwick1_000530, Prestwick2_000530, Prestwick3_000530, Oprea1_727377, BSPBio_000519, MLS002153860, SPBio_002440, 238813_ALDRICH, BPBio1_000571, 56510_FLUKA, EINECS 258-422-8, AIDS114865, AIDS-114865, CID40634, BRN 5052542, SBB005933

Molecular Formula: C14H18O4Molecular Weight: 250.290320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GLEVLJDDWXEYCO-UHFFFAOYSA-N

• 4-(3-Bromoanilino)-6,7-dimethoxyquinazoline
IUPAC Name: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 153436-54-5
Synonyms: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine, Compound 32, PD-153035, PD 153035 HYDROCHLORIDE, pd 153035, PD153035, InSolution™ PD 153035, AG 1517, SU 5271, 4-[(3-Bromophenyl)amino]-6,7-dimethoxyquinazoline, 4-(3-BROMOANILINO)-6,7-DIMETHOXYQUINAZOLINE, 4-QUINAZOLINAMINE, N-(3-BROMOPHENYL)-6,7-DIMETHOXY-, PubChem22449, Tocris-1037, SureCN9423, AC1L1IRP, UNII-TC62B68RSL, AC1Q26CE, CHEMBL29197, WHI-P 79

Molecular Formula: C16H14BrN3O2Molecular Weight: 360.205260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LSPANGZZENHZNJ-UHFFFAOYSA-N

• 3-CHLORO-N-[TRANS-4-(METHYLAMINO)CYCLOHEXYL]-N-[[3-(PYRIDIN-4-YL)PHENYL]METHYL]- BENZO[B]THIOPHENE-2-CARBOXAMIDE
IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide | CAS Registry Number: 912545-86-9
Synonyms: CHEMBL1221983, CHEMBL2160033, AC1NR49D, SureCN8437026, SureCN10029769, SureCN14707297, NCGC00347954-01, 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide, 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]- benzo[b]thiophene-2-carboxamide, N-(3-(Pyridin-4yl)benzyl)-3-chloro-N-(4-(trans-methylamino)cyclohexyl)benzo[b] thiophene-2-carboxamide

Molecular Formula: C28H28ClN3OSMolecular Weight: 490.059420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VFSUUTYAEQOIMW-UHFFFAOYSA-N

• (+/-)-Bay K 8644
IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate | CAS Registry Number: 71145-03-4
Synonyms: nchembio.79-comp12, nchembio.79-comp32, nchembio.95-comp15, Bay K 8644, BAY-K-8644, BayK8644, B112_SIGMA, CBiol_001744, Lopac0_000186, BSPBio_001578, MLS000028858, MLS001148586, MLS002153190, (+/-)-Bay K8644, CID2303, C16H15F3N2O4, CHEBI:145755, MolPort-003-983-521, Bio1_000030, Bio1_000519

Molecular Formula: C16H15F3N2O4Molecular Weight: 356.296510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: ZFLWDHHVRRZMEI-UHFFFAOYSA-N

• 4-OXO-1,4-DIHYDRO-[1,10]PHENANTHROLINE-3-CARBOXYLIC ACID
IUPAC Name: 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid | CAS Registry Number: 331830-20-7
Synonyms: 1,4-DPCA, AC1LA18U, 53946-49-9, 4-Oxo-1,4-dihydro-1,10-phenanthroline-3-carboxylic acid, SCHEMBL703592, SCHEMBL13225925, CTK1F9920, DTXSID90332701, HMS3649E16, ZINC5286251, 1126AH, AKOS022660883, ACM331830207, PL037252, 3-Acetyl-1H-[1,10]phenanthrolin-4-one, 4-Hydroxy-1,10-phenanthroline-3-carboxylic acid, 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid, 4(1H)-Oxo-1,10-phenanthroline-3-carboxylic acid, J-019071, 3B1-005998

Molecular Formula: C13H8N2O3Molecular Weight: 240.218 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XZZHOJONZJQARN-UHFFFAOYSA-N

• 7-A-HYDROXYCHOL ESTEROL
IUPAC Name: (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | CAS Registry Number: 566-26-7
Synonyms: 7alpha-Cholesterol, 7alpha-Hydroxycholesterol, 7beta-Hydroxycholesterol, 7alpha-hydroxy-cholesterol, 7-alpha-Hydroxycholesterol, Cholest-5-ene-3beta,7alpha-diol, 5-cholesten-3beta,7alpha-diol, CHEBI:17500, Cholest-5-en-3beta,7alpha-diol, CPD-266, CID107722, LMST01010013, ZINC04096158, Cholest-5-ene-3,7-diol, (3beta,7alpha)-, C03594

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OYXZMSRRJOYLLO-RVOWOUOISA-N

• 17-(DIMETHYLAMINOETHYLAMINO)-17-DEMETHOXYGELDANAMYCIN HCL
IUPAC Name: [21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate;N,N-dimethylmethanamine | CAS Registry Number: 150270-08-9
Synonyms: 17-dimethylaminoethylamino-17-demethoxygeldanamycin

Molecular Formula: C35H57N5O8Molecular Weight: 675.855780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: JZWHFNOWMZVPTP-UHFFFAOYSA-N

• 4'-Chloro-3-(1,3-dioxolan-2-yl)propiophenone
IUPAC Name: (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide | CAS Registry Number: 472981-92-3
Synonyms: S0441_SIGMA, SB-366791, CHEBI:299113, MolPort-001-491-057, STK202522, ZINC00009321, CID667594, N-(3-Methoxyphenyl)-4-chlorocinnamide, 3-(4-Chloro-phenyl)-N-(3-methoxy-phenyl)-acrylamide, BRD-K59331372-001-01-2, (E)-3-(4-Chloro-phenyl)-N-(3-methoxy-phenyl)-acrylamide, (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

Molecular Formula: C16H14ClNO2Molecular Weight: 287.740860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RYAMDQKWNKKFHD-JXMROGBWSA-N

• 4-[5-(3,4-DIMETHOXY-BENZYLIDENE)-4-OXO-2-THIOXO-THIAZOLIDIN-3-YL]-BUTYRIC ACID
IUPAC Name: 4-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate | CAS Registry Number: 18623-44-4
Synonyms: AC1NOCED, 4-[(5Z)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate, 4-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Molecular Formula: C16H16NO5S2-Molecular Weight: 366.431940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: IJWKSBPTJQMUHJ-UHFFFAOYSA-M

• 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol
IUPAC Name: 1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol | CAS Registry Number: 147591-46-6
Synonyms: ID-8, AC1LGAMV, BAS 00667177, Ambcb5280205, SureCN4063265, Oprea1_439044, Oprea1_684907, CBDivE_013358, ID 8, CTK8E8895, MolPort-000-743-887, ZINC00292702, AKOS000558433, MCULE-2303824939, NCGC00347945-01, KB-215009, 1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol, 1-(4-Methoxy-phenyl)-2-methyl-3-nitro-1H-indol-6-ol

Molecular Formula: C16H14N2O4Molecular Weight: 298.293360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VVZNWYXIOADGSW-UHFFFAOYSA-N

• 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one
IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one | CAS Registry Number: 284028-89-3
Synonyms: XAV 939, XAV-939, XAV939, XAV939, XAV-939, NVP-XAV 939, CHEBI:62878, 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, 2-[4-(Trifluoromethyl)phenyl]-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol, XAV, S1180_Selleck, S1180 _Selleck, 3kr8, 3uh4, AC1MBK2K, Maybridge3_005018, SureCN7783488, cc-343, CHEMBL1086580, XAV939,XAV-939, CHEBI:731324

Molecular Formula: C14H11F3N2OSMolecular Weight: 312.310150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-N

• 5-ETHYNYL-2'-DEOXYURIDINE
IUPAC Name: 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 61135-33-9
Synonyms: 5-Ethynyl-dUrd, 5-Ethynyl-2'-deoxyuridine, AIDS072372, CHEBI:472560, AIDS-072372, CID472172, 1-(2-deoxy-beta-D-ribofuranosyl)-5-ethynyluracil, 5-ethynyl-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

Molecular Formula: C11H12N2O5Molecular Weight: 252.223380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CDEURGJCGCHYFH-DJLDLDEBSA-N

• 2-HEPTYL-4-HYDROXYQUINOLINE N-OXIDE
IUPAC Name: 2-heptyl-1-hydroxyquinolin-4-one | CAS Registry Number: 341-88-8
Synonyms: HQNO, HOQNO, Pyo II, 2-heptyl-4-hydroxyquinoline n-oxide, 2-heptylquinolin-4-ol 1-oxide, 2-Heptyl-4-quinolinol 1-oxide, CHEBI:28362, 4-Quinolinol, 2-heptyl-, 1-oxide, CID1561, MolPort-006-822-567, 2-Heptyl-4-hydroxyquinoline oxide, CPD-7975, 2-Heptyl-4-hydroxyquinoline-N-oxide, 2-(n-Heptyl)-4-hydroxyquinoline N-oxide, 2-n-heptyl-4-hydroxyquinoline-N-oxide, KF 8940, 2-HEPTYL-1-OXY-QUINOLIN-4-OL, BRN 1466419, LS-142541, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE

Molecular Formula: C16H21NO2Molecular Weight: 259.343440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ICTVCUOZYWNYHM-UHFFFAOYSA-N

• 3-Isobutyl-1-Methylxanthine
IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione | CAS Registry Number: 28822-58-4
Synonyms: IBMX, 3-Isobutyl-1-methylxanthine, isobutylmethylxanthine, Isobutyltheophylline, 1zkl, 1zkn, Methyl-isobutylxanthine, Methylisobutylxanthine, 2hd1, 2r8q, 3-Isobutyl-1-methyxanthine, 1-METHYL-3-ISOBUTYLXANTHINE, Spectrum2_001705, Spectrum2_001735, Spectrum3_001958, Spectrum4_001052, Spectrum5_001856, 3-Isobutyl 1-methylxanthine, Lopac-I-5879, MolMap_000030

Molecular Formula: C10H14N4O2Molecular Weight: 222.243760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: APIXJSLKIYYUKG-UHFFFAOYSA-N

• 3,4-Dichloro-N-(1-Methylbutyl)benza-Mide
IUPAC Name: 3,4-dichloro-N-pentan-2-ylbenzamide | CAS Registry Number: 7497-07-6
Synonyms: ST50721491, NSC405020, AC1L85MV, MolPort-001-510-886, STK029746, 3,4-dichloro-N-pentan-2-ylbenzamide, AKOS003260207, LS41106, MCULE-6949455563, NSC 405020, NSC-405020, 3,4-dichloro-N-(pentan-2-yl)benzamide, (3,4-dichlorophenyl)-N-(methylbutyl)carboxamide

Molecular Formula: C12H15Cl2NOMolecular Weight: 260.159600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ARDYECYBETXQFD-UHFFFAOYSA-N

• 6-[2-(TERT-BUTYL)-5-(6-METHYL-PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL]QUINOXALINE
IUPAC Name: 6-[2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoxaline | CAS Registry Number: 356559-20-1
Synonyms: SB-525334, SB 525334, AG-F-23697, 6-[2-TERT-BUTYL-5-(6-METHYL-PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL]-QUINOXALINE, SB525334, SB 525334, 356559-20-1, 6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline, SB525334, SB 525334, S1476_Selleck, SureCN373474, SureCN10000768, cc-539, CHEMBL401570, QCR-68, CTK4H5088, CHEBI:535646, HMS3262O09, ABP000161, ANW-71297, DNC010927, AKOS016008294

Molecular Formula: C21H21N5Molecular Weight: 343.424940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DKPQHFZUICCZHF-UHFFFAOYSA-N

• 1-Aminobenzotriazole
IUPAC Name: benzotriazol-1-amine | CAS Registry Number: 1614-12-6
Synonyms: 1-aminobenzotriazole, 1-Abtz, 1-Benzotriazolamine, 1H-Benzotriazol-1-amine, Lopac-A-3940, Lopac0_000056, MLS001056764, A3940_SIGMA, 1H-1,2,3-Benzotriazol-1-amine, 07035_FLUKA, 1H-1,2,3-Benzotriazol-1-ylamine, NSC656987, AIDS141419, NSC 114498, AIDS-141419, NSC114498, SBB004208, ZINC00230381, NCGC00015056-01, NCGC00093570-01

Molecular Formula: C6H6N4Molecular Weight: 134.138640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JCXKHYLLVKZPKE-UHFFFAOYSA-N

• 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide | CAS Registry Number: 420831-40-9
Synonyms: ZINC01159030, AC1LP8WE, Ambcb6672313, SureCN1095726, Oprea1_876929, UNII-308B6B695N, MolPort-002-216-322, AKOS001632674, MCULE-6804773508, NCGC00347936-01, EU-0004902, T7023203, Benzamide, N-(3-bromophenyl)-3-((hexahydro-1H-azepin-1-yl)sulfonyl)-

Molecular Formula: C19H21BrN2O3SMolecular Weight: 437.350640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IYAYHZZWYNXHEQ-UHFFFAOYSA-N

• 2-[(1,2-Dihydro-2-Oxo-3H-Indol-3-Ylidene)methyl]-4-Methyl-1H-Pyrrole-3-Propanoic Acid
IUPAC Name: 3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid | CAS Registry Number: 215543-92-3
Synonyms: su5402, SU-5402, SU 5402, 3-[3-(2-Carboxyethyl)-4-methylpyrrol-2-methylidenyl]-2-indolinone, 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE, (Z)-3-(4-methyl-2-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid, 3-{[3-(2-carboxyethyl)-4-methylpyrrol-2-yl]methylene}-2-indolinone, S1479_Selleck, PubChem22440, AC1NRD9M, Robalzotan monohydrobromide, SureCN2593628, cc-522, CHEMBL89363, CHEBI:45792, CHEBI:63449, BCPP000060, ABP000876, DNC001229, DNC001386

Molecular Formula: C17H16N2O3Molecular Weight: 296.320540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JNDVEAXZWJIOKB-JYRVWZFOSA-N

• 2-[4-(2-Hydroxy-ethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
IUPAC Name: 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1H-quinazolin-4-one | CAS Registry Number: 1044870-39-4
Synonyms: 2-(4-(2-Hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one, 2-[4-(2-Hydroxyethoxy)-3,5-Dimethylphenyl]-5,7-Dimethoxyquinazolin-4(3h)-One, 1K0, SureCN145019, UNII-8R4A7GDZ1D, CHEMBL2393130, RVX-208, QC-216, AKOS016008772, RVX-000222, AK110565, BD229143, RVX-208(RVX-000222), KB-222054, S7295,RVX-000222,1044870-39-4

Molecular Formula: C20H22N2O5Molecular Weight: 370.399080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NETXMUIMUZJUTB-UHFFFAOYSA-N

• 2,3-BIS(2-HYDROXYETHYLTHIO)-1,4-NAPHTHALENEDIONE
IUPAC Name: 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione | CAS Registry Number: 93718-83-3
Synonyms: Tocris-1547, Lopac-N-1786, Lopac0_000629, NSC 95397, BSPBio_001155, KBioGR_000495, KBioSS_000495, MLS002153403, N1786_SIGMA, NSC95397, KBio2_000495, KBio2_003063, KBio2_005631, KBio3_000909, KBio3_000910, CHEBI:509286, MolPort-003-958-936, Bio2_000408, Bio2_000888, HMS1990I17

Molecular Formula: C14H14O4S2Molecular Weight: 310.388560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MAASHDQFQDDECQ-UHFFFAOYSA-N

• 1-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1-pyrrolidinyl)ethanone
IUPAC Name: 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone | CAS Registry Number: 314245-33-5
Synonyms: CHEMBL1410015, IU1, F1142-1244, 1-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(pyrrolidin-1-yl)ethanone, Usp14 inhibitor, AC1LDUCV, AC1Q2HNB, SureCN6923146, MLS001032847, MolPort-000-565-740, HMS1726C11, HMS2742M13, AKOS000811299, CCG-190730, MCULE-9620933012, QC-8208, NCGC00249377-01, SMR000363441, ST054127, MLS001032847-02

Molecular Formula: C18H21FN2OMolecular Weight: 300.370543 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JUWDSDKJBMFLHE-UHFFFAOYSA-N

• 2-Deoxy-D-Glucose
IUPAC Name: (4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol | CAS Registry Number: 154-17-6
Synonyms: 2-deoxy-D-glucose, 2-deoxyglucose, 2-Deoxyhexose, 2-dGlc, 2-Deoxy-D-arabinohexose, D-Arabino-2-deoxyhexose, 2-Deoxy-D-arabino-hexose, MLS001332441, MLS001332442, D3179_SIGMA, D6134_SIGMA, D8375_SIGMA, AIDS000097, Bio1_000485, Bio1_000974, Bio1_001463, Ba 2758, AIDS-000097, NSC15193, SMR000857164

Molecular Formula: C6H12O5Molecular Weight: 164.156480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: PMMURAAUARKVCB-CERMHHMHSA-N

• 7-HYDROXY-4-METHYL-2-OXO-2H-CHROMENE-8-CARBALDEHYDE
IUPAC Name: 7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde | CAS Registry Number: 14003-96-4
Synonyms: 7-hydroxy-4-methyl-2-oxo-2H-chromene-8-carbaldehyde, 2H-1-Benzopyran-8-carboxaldehyde, 7-hydroxy-4-methyl-2-oxo-, AGN-PC-00K5FT, CHEMBL272357, CTK0B7271, MolPort-006-067-455, ALBB-006719, SBB048329, STK504078, ZINC29131676, AKOS000265727, AG-A-91948, MCULE-3171875173, BB 0256929, 7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde, 48C

Molecular Formula: C11H8O4Molecular Weight: 204.178820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RTHHSXOVIJWFQP-UHFFFAOYSA-N

• 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-
IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide | CAS Registry Number: 302962-49-8
Synonyms: Dasatinib, Sprycel, BMS Dasatinib, Dasatinib [USAN], Dasatinib (USAN), nchembio.117-comp11, SPRYCEL (TN), BMS-354825, BMS354825, BMS 354825, CHEBI:49375, NSC732517, CID3062316, DB01254, NSC-732517, NCGC00181129-01, BCB03_000715, LS-186641, LS-187028, LS-187773

Molecular Formula: C22H26ClN7O2SMolecular Weight: 488.005540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N


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