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• SIRT1 Activator 3
IUPAC Name: N-cyclopentyl-2-diazenyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide | CAS Registry Number: 839699-72-8
Synonyms: CTK8E9029, MolPort-009-019-254, ZINC27646605

Molecular Formula: C20H24N6O2Molecular Weight: 380.443560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FCSPEKABVJVYEG-UHFFFAOYSA-N

• Sivelestat
IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid | CAS Registry Number: 127373-66-4
Synonyms: Sivelestat [USAN], Elastase Inhibitor IV, Ono-5046, Sivelestat (USAN/INN), Ono 5046, UNII-DWI62G0P59, ONO5046, ONO-5046.Na, C20H22N2O7S, CHEBI:222423, EI 546, CID107706, IN1349, LY 544349, LS-172679, D03788, o-(p-Hydroxybenzenesulfonamido)hippuric acid, pivalate (ester), N-(2-(4-(2,2-Dimethylpropionyloxy)phenylsulfonylamino)benzoyl)aminoacetic acid, N-(o-(p-Pivaloyloxybenzene)sulfonylaminobenzoyl)glycine, Glycine, N-(2-(((4-(2,2-dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)-

Molecular Formula: C20H22N2O7SMolecular Weight: 434.462880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-N

• SMER28 98%
IUPAC Name: 6-bromo-N-prop-2-enylquinazolin-4-amine | CAS Registry Number: 307538-42-7
Synonyms: SMER28, 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine, ST50182394, 3srb, SMR000106755, AC1LTGZ0, CBMicro_021891, Oprea1_603374, MLS000110826, CHEMBL494325, CTK8E6903, CHEBI:577914, MolPort-000-660-290, HMS2384I08, HMS3263K19, N-Allyl-6-bromoquinazolin-4-amine, CCG-14477, STK975188, ZINC01766166, AKOS002262854

Molecular Formula: C11H10BrN3Molecular Weight: 264.121200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BCPOLXUSCUFDGE-UHFFFAOYSA-N

• Sodium Valproate
IUPAC Name: sodium 2-propylpentanoate | CAS Registry Number: 1069-66-5
Synonyms: Sodium valproate, Valproate sodium, Depakene, Epilim, Convulex, Eurekene, Labazene, Orfiril, Valerin, Natrium valproat, Selenica, Sodium 2-propylpentanoate, Valproic acid sodium salt, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium

Molecular Formula: C8H15NaO2Molecular Weight: 166.193270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Sorafenib Tosylate
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzenesulfonic acid | CAS Registry Number: 475207-59-1
Synonyms: Nexavar, Xarelto, Sorafenib tosylate, Sorafenib tosilate, Nexavar(R), Nexavar (TN), Sorafenib tosilate (JAN), Sorafenib tosylate (USAN), Sorafenib tosylate [USAN], BAY 43-9006 tosylate, NSC724772, CID406563, BAY 43-9006, BAY 54-9085, LS-186598, D06272, 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate), 4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy} -pyridine-2-carboxylic acid methylamide-4-methylbenzenesulfonate

Molecular Formula: C28H24ClF3N4O6SMolecular Weight: 637.026570 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: IVDHYUQIDRJSTI-UHFFFAOYSA-N

• SPLITOMICIN
IUPAC Name: 2,3-dihydrobenzo[f]chromen-1-one | CAS Registry Number: 5690-03-9
Synonyms: 2,3-dihydro-1H-benzo[f]chromen-1-one, 4707-36-2, AN-943/13652017, AC1Q6DTP, SureCN86076, AC1L40BI, MolPort-000-875-091, HMS1662B01, 2,3-dihydrobenzo[f]chromen-1-one, 2,3-dihydro-benzo[f]chromen-1-one, AR-1D2515, NSC157021, ZINC00367422, AKOS002664385, MCULE-4595357464, NSC 157021, NSC-157021, KB-16867, 2,3-dihydro-1H-napthol[2,1-b]pyran-1-one, 1H-Naphtha(2,1-b)pyran-4-one, 2,3-dihydro-

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWRLQFJGZTUXDD-UHFFFAOYSA-N

• SR-3576
IUPAC Name: 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide | CAS Registry Number: 1164153-22-3
Synonyms: Aminopyrazole inhibitor, 3576, 3-(5-(3-m-Tolylureido)-1H-indazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide, 3-[4-[[[(3-Methylphenyl)amino]carbonyl]amino]-1H-pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)-benzamide

Molecular Formula: C27H27N5O5Molecular Weight: 501.533780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MTFAYLZZDJGFGV-UHFFFAOYSA-N

• SR8278
IUPAC Name: ethyl 2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate | CAS Registry Number: 1254944-66-5
Synonyms: KB-80725, 1,2,3,4-Tetrahydro-2-[[5-(methylthio)-2-thienyl]carbonyl]-3-isoquinolinecarboxylic acid ethyl ester, ethyl 2-{[5-(methylsulfanyl)thiophen-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Molecular Formula: C18H19NO3S2Molecular Weight: 361.478360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UIEBLUZPSFAFOC-UHFFFAOYSA-N

• SR9009
IUPAC Name: ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate | CAS Registry Number: 1379686-30-2
Synonyms: CHEMBL1961796, ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate

Molecular Formula: C20H24ClN3O4SMolecular Weight: 437.940260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: MMJJNHOIVCGAAP-UHFFFAOYSA-N

• SR9243
IUPAC Name: N-[2-(3-bromophenyl)ethyl]-2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]benzenesulfonamide | CAS Registry Number: 1613028-81-1
Synonyms: SCHEMBL15773799, CHEBI:90842, AOB6084, EX-A622, MolPort-039-193-847, AKOS026750218, ZINC145726256, CS-4514, SR 9243, HY-16972, SR9243, >=98% (HPLC), J-690219, 5-Cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]-1-piperazinyl}-N-[3-(1-pyrrolidinyl)propyl]-3-biphenylcarboximidic acid, N-[2-(3-bromophenyl)ethyl]-2,4,6-trimethyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}benzenesulfonamide, N-[2-(3-bromophenyl)ethyl]-N-{[4-(3-methanesulfonylphenyl)phenyl]methyl}-2,4,6-trimethylbenzene-1-sulfonamide, SR 9243|N-[2-(3-Bromophenyl)ethyl]-2,4,6-trimethyl-N-[[3'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]methyl]benzenesulfonamide

Molecular Formula: C31H32BrNO4S2Molecular Weight: 626.624 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FYQFEJFTCLKXTQ-UHFFFAOYSA-N

• SRC I1
IUPAC Name: 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine | CAS Registry Number: 179248-59-0
Synonyms: Src Kinase Inhibitor I, 4-(4′-Phenoxyanilino)-6,7-dimethoxyquinazoline, 6,7-dimethoxy-N-(4-phenoxyphenyl)-4-quinazolinamine, Src Inhibitor-1, ZINC01386783, Src-l1, AC1LT1HN, Bionet1_003516, SureCN1387206, SKI-1, Oprea1_231056, CHEMBL97771, CTK0E3319, HMS578L18, CHEBI:256452, MolPort-000-577-689, HMS3229K19, HSCI1_000234, IN1082, AKOS002350963

Molecular Formula: C22H19N3O3Molecular Weight: 373.404560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DMWVGXGXHPOEPT-UHFFFAOYSA-N

• St. John's Wort Powdered Extract
Synonyms: hypericin, Hypericum red, Cyclosan, hipericina, hypericine, Cyclo-Werol, Hyperizin, Cyclo werrol, Hypericum Extract, VIMRxyn, Ambap348, BiomolKI_000032, Hypericin & Visible light, BiomolKI2_000040, mono-(123I)iodohypericin, NSC407313, CHEBI:5835, 56690_FLUKA, EINECS 208-941-0, NSC622946

Molecular Formula: C30H16O8Molecular Weight: 504.443240 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: BTXNYTINYBABQR-UHFFFAOYSA-N

• Stauprimide

Molecular Formula: C35H28N4O5Molecular Weight: 584.620620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MQCCJEYZKWZQHU-JTPSWESPSA-N

• Staurosporine
Synonyms: staurosporine, Staurosporin, (+)-Staurosporine, Antibiotic 230, 1nvr, 1stc, 1xbc, 1xjd, 1yhs, 2gcd, Antibiotic AM 2282, nchembio.87-comp4, nchembio809-comp4, Staurosporine & TNF, nchembio.162-comp3, 1q3d, 1sm2, 2dq7, CCRIS 3272, MolMap_000047

Molecular Formula: C28H26N4O3Molecular Weight: 466.531040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

• StemRegenin 1
IUPAC Name: 4-[2-[[2-(1-benzothiophen-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol | CAS Registry Number: 1227633-49-9
Synonyms: SureCN2314094, QC-8225, NCGC00263553-02, KB-80739, 4-(2-(2-(benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)phenol

Molecular Formula: C24H23N5OSMolecular Weight: 429.537320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BGFHMYJZJZLMHW-UHFFFAOYSA-N

• STF 083010
IUPAC Name: N-[(E)-(2-oxonaphthalen-1-ylidene)methyl]thiophene-2-sulfonamide | CAS Registry Number: 307543-71-1
Synonyms: stf 083010, AC1NUBP5, MolPort-000-661-237, MolPort-019-768-017, HMS1425O17, STK392249, AKOS001671555, MCULE-1905434304, STF-083010, ST50477511, F1065-0023, 2-{[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl]sulfonyl}thiophene, N-[(2-Hydroxy-1-naphthalenyl)methylene]-2-thiophenesulfonamide, N-[(E)-(2-oxonaphthalen-1-ylidene)methyl]thiophene-2-sulfonamide, S7771,307543-71-1, N-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide

Molecular Formula: C15H11NO3S2Molecular Weight: 317.382740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AUXKGDNZANYAPX-JLHYYAGUSA-N

• STO-609 ACETATE; 7-OXO-7H-BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLINE-3-CARBOX YLIC ACID ACETATE
Synonyms: 2zv2, ZINC00009295

Molecular Formula: C19H9N2O3-Molecular Weight: 313.286360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MYKOWOGZBMOVBJ-UHFFFAOYSA-M

• Streptozotocin
IUPAC Name: 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea | CAS Registry Number: 18883-66-4
Synonyms: streptozocin, Zanosar, STREPTOZOTOCIN, streptozosin, alkylating agent, binds to DNA, Zanosar (TN), STRZ, Ambap3050, Spectrum_000960, Streptozocinium [Latin], Prestwick3_000732, Spectrum2_000062, Spectrum3_001087, Spectrum4_001244, Spectrum5_001047, RCRA waste no. U206, Streptozocin (USAN/INN), Streptozocin [USAN:INN], RCRA waste number U206

Molecular Formula: C8H15N3O7Molecular Weight: 265.220600 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: ZSJLQEPLLKMAKR-GKHCUFPYSA-N

• SU 4312; 3-[[4-(DIMETHYLAMINO)PHENYL]METHYLENE]-1,3-DIHYDRO-2H-IN DOL-2-ONE
IUPAC Name: (3Z)-3-[(4-dimethylaminophenyl)methylidene]-1H-indol-2-one | CAS Registry Number: 5812-07-7
Synonyms: BiomolKI_000054, BiomolKI2_000060, UPCMLD-DP118, Lopac0_001121, BSPBio_000998, SU 4312, NSC86429, UPCMLD-DP118:001, UPCMLD-DP118:002, CHEBI:241768, MolPort-003-959-619, AIDS125849, HMS1362B19, HMS1792B19, HMS1990B19, AIDS-125849, NSC 86429, ZINC12339625, CID6450842, IDI1_002094

Molecular Formula: C17H16N2OMolecular Weight: 264.321740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UAKWLVYMKBWHMX-PTNGSMBKSA-N

• SULFAMIC ACID 4-(2-((1-OXOTETRADECYL)AMINO)ETHYL)PHENYL ESTER
IUPAC Name: [4-[2-(tetradecanoylamino)ethyl]phenyl] sulfamate | CAS Registry Number: 186303-55-9
Synonyms: DU 14, CHEBI:165303, CID3081351, (p-O-Sulfamoyl)-N-tetradecanoyltyramine, Sulfamic acid 4-(2-tetradecanoylamino-ethyl)-phenyl ester, Sulfamic acid, 4-(2-((1-oxotetradecyl)amino)ethyl)phenyl ester

Molecular Formula: C22H38N2O4SMolecular Weight: 426.613120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MBODHUVGZPZRBW-UHFFFAOYSA-N

• Sulindac Sulfide
IUPAC Name: 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid | CAS Registry Number: 32004-67-4
Synonyms: Sulindac sulfide, C20H17FO2S, EINECS 250-892-2, CID91605, LS-174363, 5-Fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenyl acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(p-(methylthio)benzylidene)-, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-, 5-Fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1H-indene-3-acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(4-(methylthio)phenyl)methylene-, (Z)-

Molecular Formula: C20H17FO2SMolecular Weight: 340.411183 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LFWHFZJPXXOYNR-UHFFFAOYSA-N

• SULINDAC SULFONE 99+%
IUPAC Name: 2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid | CAS Registry Number: 59864-04-9
Synonyms: Sulindac sulfone, CID114866

Molecular Formula: C20H17FO4SMolecular Weight: 372.409983 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MVGSNCBCUWPVDA-UHFFFAOYSA-N

• Sulphasalazine
IUPAC Name: (3Z)-6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid | CAS Registry Number: 599-79-1
Synonyms: sulfasalazine, Azulfidine, Salicylazosulfapyridine, Salazosulfapyridine, Azulfidine (TN), Prestwick_848, Sulphasalazine, N-, 13gs, Sulfasalazine (USP/INN), Salazosulfapyridine (JP15), NCGC00016518-01, NCGC00090903-01, NCGC00090903-02, NCGC00090903-03, NCGC00090903-04, NCGC00090903-05, CAS-599-79-1, C07316, D00448, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID

Molecular Formula: C18H14N4O5SMolecular Weight: 398.392560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: OQANPHBRHBJGNZ-BKUYFWCQSA-N

• Sunitinib malate
IUPAC Name: N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid | CAS Registry Number: 341031-54-7
Synonyms: Sutent, Sutent (TN), Sunitinib malate [USAN], SU011248 L-malate salt, SU-11248 L-malate salt, PHA-290940AD, Sunitinib malate (JAN/USAN), SU-011248 L-malate salt, PNU-290940AD, SU010398, CID6456015, SU 011248, SU011248, LS-186078, SU-010398, TL8002546, D06402, Butanedioic acid, hydroxy-, (2S)-, compd. with N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1)

Molecular Formula: C26H33FN4O7Molecular Weight: 532.561223 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: LBWFXVZLPYTWQI-IPOVEDGCSA-N

• Tacrolimus
Synonyms: tacrolimus, Prograf, Advagraf, Fujimycin, Graceptor, Modigraf, Protopic, Protopy, LCP-Tacro, Ambap5429, Fk-506, BSPBio_001279, MLS000759471, NChemBio.2007.16-comp1, FK506, FK 506, LMPK01000002, FR-900506, IDI1_001040, NCGC00163470-01

Molecular Formula: C44H69NO12Molecular Weight: 804.018160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N

• Tamoxifen Citrate
IUPAC Name: 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 54965-24-1
Synonyms: Tamoxifen citrate, Nolvadex, Soltamox, tamoxifen, Zitazonium, Farmifeno, Ginarsan, Jenoxifen, Ledertam, Nourytan, Tamoplex, Tamoxasta, Zynoplex, Noxitem, Oncotam, Tafoxen, Tamofen, Terimon, Emblon, Kessar

Molecular Formula: C32H37NO8Molecular Weight: 563.638080 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: FQZYTYWMLGAPFJ-OQKDUQJOSA-N

• Tanshinone IIA
IUPAC Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | CAS Registry Number: 568-72-9
Synonyms: Tanshinon II, Tanshinone B, Tanshinone II, Dan Shen Ketone, Tanshinone ?A, tanshinone II A, Ambap896, BSPBio_001597, BSPBio_002426, KBioGR_000317, KBioSS_000317, MLS001048863, SPECTRUM1505824, KBio2_000317, KBio2_002885, KBio2_005453, KBio3_000633, KBio3_000634, NSC686519, AIDS150197

Molecular Formula: C19H18O3Molecular Weight: 294.344420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HYXITZLLTYIPOF-UHFFFAOYSA-N

• Temozolomide
IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | CAS Registry Number: 85622-93-1
Synonyms: temozolomide, Methazolastone, Temodal, Temodar, Temozolamide, Temozolomidum [Latin], Temozolodida [Spanish], Temodal (TN), Temozolomide [BAN:INN], Temozolomide [INN:BAN], Essex brand of temozolomide, CCRG 81045, CCRG-81045, Sch 52365, MLS000759447, MLS001424028, Schering brand of temozolomide, C6H6N6O2, CCRIS 8996, Temozolomide (JAN/USAN/INN)

Molecular Formula: C6H6N6O2Molecular Weight: 194.150840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Teprenone
IUPAC Name: (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one | CAS Registry Number: 6809-52-5
Synonyms: teprenone, Geranylgeranylacetone, teprenon, Selbelle, Tetraprenylacetone, Selbex, Teprenone [INN], tetraprenyl acetone, Geranylgeranyl acetone, Teprenonum [INN-Latin], geranyl-geranyl-acetone, Teprenona [INN-Spanish], C23H38O, Ea-0671, LS-96803, E-671, C13297, E-0671, 5,9,13,17-NONADECATETRAEN-2-ONE, 6,10,14,18-TETRAMETHYL-, 6,10,14,18-tetramethyl-5,9,13,17-nonadecatetraen-2-one

Molecular Formula: C23H38OMolecular Weight: 330.547220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HUCXKZBETONXFO-NJFMWZAGSA-N

• Terazosin monohydrochloride anhydrous
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone hydrochloride | CAS Registry Number: 63074-08-8
Synonyms: Terasin, Vasocard, Hytrin, Terazosin hydrochloride, Terazosin HCl, Terazosine, Prestwick_146, Abbott-45975, terazosine hydrochloride, Terazosin hydrochloride anhydrous, MLS000040261, MLS001077301, C19H25N5O4.HCl, T4680_SIGMA, TERAZOSIN HYDROCHLORIDE (anhydrous), NCGC00094404-01, NCGC00094404-02, SMR000044015, LS-110235, TL8004930

Molecular Formula: C19H26ClN5O4Molecular Weight: 423.893840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: IWSWDOUXSCRCKW-UHFFFAOYSA-N

• Terguride
Synonyms: terguride, Dironyl, Teluron, Mysalfon, Transdihydrolisuride, S(+)-Terguride, Teluron (TN), trans-Dihydrolisuride, Terguride (JAN/INN), Prestwick0_000945, Prestwick1_000945, Prestwick2_000945, Prestwick3_000927, T165_SIGMA, BSPBio_000834, MLS000069833, SPBio_003069, BPBio1_000918, VUFB-6638, CHEBI:217385

Molecular Formula: C20H28N4OMolecular Weight: 340.462520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOAHPSVPXZTVEP-YXJHDRRASA-N

• Terranas
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride | CAS Registry Number: 101477-54-7
Synonyms: lomerizine, Migsis, Lomerizine hydrochloride, Terranas (TN), Lomerizine dihydrochloride, Lomerizine hydrochloride (JAN), C27H30F2N2O3.2HCl, KB 2796, KB-2796, DE-090, LS-110465, D02633, 1-(2,3,4-Trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine dihydrochloride, 1-(Bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)piperazine dihydrochloride, Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, dihydrochloride, 1-(bis(4-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride

Molecular Formula: C27H32Cl2F2N2O3Molecular Weight: 541.457386 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: LOGVKVSFYBBUAJ-UHFFFAOYSA-N

• tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
Synonyms: SCHEMBL881473, CHEMBL2132936, MolPort-035-757-963, AKOS024464994, (+)JQ-1, 4CA-0008, AK163798, BP-21590

Molecular Formula: C23H25ClN4O2SMolecular Weight: 456.988200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: DNVXATUJJDPFDM-UHFFFAOYSA-N

• Tetrabenazine
IUPAC Name: 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydropyrido[2,1-a]isoquinolin-2-one | CAS Registry Number: 58-46-8
Synonyms: TETRABENAZINE, Nitoman, Rubigen, tetra Benazin, Tetrabenzaine, Tetrabenzine, Tetrabenazina, Tetrabenazinum, Xenazine, Regulin, Tetrabenazinum [INN-Latin], Tetrabenazina [INN-Spanish], Tetrabenazine [INN:BAN], UNII-Z9O08YRN8O, TimTec1_002217, Oprea1_264344, MLS001249426, MLS001249497, Ro 1-9569, C19H27NO3

Molecular Formula: C19H27NO3Molecular Weight: 317.422580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MKJIEFSOBYUXJB-UHFFFAOYSA-N

• TH588
IUPAC Name: 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine | CAS Registry Number: 1609960-31-7
Synonyms: CHEMBL3782004, N4-Cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, N~4~-Cyclopropyl-6-(2,3-Dichlorophenyl)pyrimidine-2,4-Diamine, 2GE, C13H12Cl2N4, SCHEMBL15757649, AOB2013, EX-A650, SYN5087, MolPort-035-944-326, BDBM50152124, MFCD28963908, TH-588, ZINC98208168, AKOS026750322, CS-4507, AK316938, BC600732, HY-12814, KB-334148

Molecular Formula: C13H12Cl2N4Molecular Weight: 295.167 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PNMYJIOQIAEYQL-UHFFFAOYSA-N

• Thalidomide
IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione | CAS Registry Number: 50-35-1
Synonyms: thalidomide, Thalomid, Sedoval, Corronarobetin, Psychotablets, Theophilcholine, Enterosediv, Psycholiquid, Algosediv, Contergan, Ectiluran, Gastrinide, Nerosedyn, Neurosedin, Neurosedym, Noctosediv, Pantosediv, Polygripan, Profarmil, Quietoplex

Molecular Formula: C13H10N2O4Molecular Weight: 258.229500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UEJJHQNACJXSKW-UHFFFAOYSA-N

• Thapsigargin
IUPAC Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate | CAS Registry Number: 67526-95-8
Synonyms: thapsigargin, -7-yl ester, THAPSINGARGIN, nchembio.368-comp12, n-7-yl ester (9CI), Lopac0_001262, BSPBio_001501, T9033_SIGMA, CHEBI:251991, MolPort-003-959-790, HMS1989L03, C28H38O12.C7H16, CID446378, LMPR0103410001, Azuleno[4,5-b]furan, octanoic acid deriv., IDI1_033971, NCGC00162381-05, NCGC00162381-06, LS-176600, EU-0101262

Molecular Formula: C34H50O12Molecular Weight: 650.753600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: IXFPJGBNCFXKPI-FSIHEZPISA-N

• Thenoyl Trifluoroacetone
IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione | CAS Registry Number: 326-91-0
Synonyms: ttfa, 2-Thenoyltrifluoroacetone, TTFA cpd, THENOYLTRIFLUOROACETONE, Trifluorothienylacetone, alpha-Thenoyltrifluoroacetone, .alpha.-Thenoyltrifluoroacetone, Perfluoroacetyl(2-thenoyl)methane, 1-Thenoyl-3,3,3-trifluoroacetone, T27006_ALDRICH, ARONIS021027, 1,1,1-Trifluoro-3-(2-thenoyl)acetone, 88300_FLUKA, 88302_FLUKA, EINECS 206-316-7, TOS-BB-0669, NSC 66544, NSC66544, 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-, HSCI1_000376

Molecular Formula: C8H5F3O2SMolecular Weight: 222.184310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: TXBBUSUXYMIVOS-UHFFFAOYSA-N

• Thieno[2,3-b]pyridine-5-carbonitrile, 6,7-dihydro-4-hydroxy-3-(2'-hydroxy[1,1'-biphenyl]-4-yl)-6-oxo-
IUPAC Name: 4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile | CAS Registry Number: 844499-71-4
Synonyms: A-769662, A 769662, 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, PubChem16661, cc-24, SureCN2669403, CHEMBL512504, CTK8E9331, CHEBI:546780, BCPP000450, ACT04835, AKOS015902474, BCP9000208, QC-6154, NCGC00250373-01, AK117003, KB-47022, FT-0653453, ST51054123, X7459

Molecular Formula: C20H12N2O3SMolecular Weight: 360.385880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CTESJDQKVOEUOY-UHFFFAOYSA-N

• Thieno[3,2-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-
IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine | CAS Registry Number: 957054-30-7
Synonyms: GDC-0941, GDC0941, GDC 0941, Pictrelisib, S1065_Selleck, Kinome_3719, CHEMBL521851, 4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine, CHEBI:65326, GDC-0941, GDC0941, 2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine, GD9, 2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine, 4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine, Pictrelisib [INN], Pictilisib (USAN), PICTILISIB, PubChem16427, nchembio.293-comp12

Molecular Formula: C23H27N7O3S2Molecular Weight: 513.635580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: LHNIIDJUOCFXAP-UHFFFAOYSA-N

• Thioguanine
IUPAC Name: 2-amino-3,7-dihydropurine-6-thione | CAS Registry Number: 154-42-7
Synonyms: thioguanine, 6-Thioguanine, Tioguanine, Tioguanin, Tabloid, Lanvis, 6-Mercaptoguanine, Wellcome U3B, Guanine, thio-, 2-Thioguanine, 2-Amino-6-mercaptopurine, 2-Amino 6MP, 2-Aminopurin-6-thiol, 2-Amino-6-purinethiol, 2-Aminopurine-6-thiol, 6-Mercapto-2-aminopurine, 2-Aminopurine-6(1H)-thione, 2-Amino-6-MP, Guanine, thio- (VAN), Tioguaninum [INN-Latin]

Molecular Formula: C5H5N5SMolecular Weight: 167.191700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WYWHKKSPHMUBEB-UHFFFAOYSA-N

• Thiostrepton
Synonyms: thiostrepton, Bryamycin, Thiactin, Alaninamide,, Gargon, Mixture Name, Antibiotic X 146, Antibiotic A 8506, Thiostrepton [USAN], Antibiotic 6761-31, Panolog Cream (Veterinary), Prestwick2_000522, BSPBio_002468, SPECTRUM1505111, NSC 81722, NSC 170365, EINECS 215-734-9, CHEBI:425931, NSC81722, C72H85N19O18S5

Molecular Formula: C72H85N19O18S5Molecular Weight: 1664.886800 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 26

InChIKey: NSFFHOGKXHRQEW-DVRIZHICSA-N

• TOFA
IUPAC Name: 5-tetradecoxyfuran-2-carboxylic acid | CAS Registry Number: 54857-86-2
Synonyms: 5-Tetradecyloxy-2-furonic acid, Rmi 14514, 5-(Tetradecyloxy)-2-furoic acid, MDL 14514, RMI-14514, C19H32O4, BRN 0539681, IN1057, 5-(Tetradecyloxy)-2-furancarboxylic acid, 2-Furancarboxylic acid, 5-(tetradecyloxy)-, NCGC00165908-01, LS-70187

Molecular Formula: C19H32O4Molecular Weight: 324.454980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CZRCFAOMWRAFIC-UHFFFAOYSA-N

• TPCK
IUPAC Name: N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide | CAS Registry Number: 402-71-1
Synonyms: Tos-Phe-CH2Cl, Lopac-T-4376, Lopac0_001157, BSPBio_001541, KBioGR_000261, KBioSS_000261, MLS000028752, MLS001076075, CHEBI:9642, KBio2_000261, KBio2_002829, KBio2_005397, KBio3_000521, KBio3_000522, AIDS057140, Bio2_000261, Bio2_000741, AIDS-057140, CID439647, NSC727365

Molecular Formula: C17H18ClNO3SMolecular Weight: 351.847720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MQUQNUAYKLCRME-INIZCTEOSA-N

• Tranilast
IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid | CAS Registry Number: 53902-12-8
Synonyms: tranilast, Rizaben, Rizaben (TN), Tranilastum [INN-Latin], Tranilast [USAN:INN:JAN], Lopac0_001193, BSPBio_003561, MLS000028468, MLS000759509, MLS001065902, MLS001077269, Tranilast (JAN/USAN/INN), SPECTRUM1505333, T0318_SIGMA, 3,4-DAA, C18H17NO5, MK 341, N-(3,4-Dimethoxycinnamoyl)anthranilic acid, HSCI1_000076, SB-252218

Molecular Formula: C18H17NO5Molecular Weight: 327.331280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NZHGWWWHIYHZNX-CSKARUKUSA-N

• Tranylcypromine Hemisulfate
IUPAC Name: [(1S,2R)-2-phenylcyclopropyl]azanium; [(1R,2S)-2-phenylcyclopropyl]azanium; sulfate | CAS Registry Number: 13492-01-8
Synonyms: Tylciprine, Parnate, Tranylcypromine sulfate, Tranylcypromine sulphate, Phenylcyclopromine sulfate, dl-Tranylcypromine sulfate, 2C9H11N.H2O4S, EINECS 236-807-1, 1-Amino-2-phenylcyclopropane sulfate, trans,DL-2-Phenylcyclopropylamine sulfate, LS-58827, (+-)-trans-2-Phenylcyclopropylamine sulfate (2:1), Cyclopropanamine, 2-phenyl-, trans-(+-)-, sulfate (2:1), Cyclopropylamine, 2-phenyl-, sulfate, trans-(+-)-, (2:1), CYCLOPROPYLAMINE, 2-PHENYL-, SULFATE, trans-(+,-)-, (2:1), 1949-18-4, 7081-36-9

Molecular Formula: C18H24N2O4SMolecular Weight: 364.459160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BKPRVQDIOGQWTG-ICOOEGOYSA-N

• Tretinoin
IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid | CAS Registry Number: 302-79-4
Synonyms: Retinoic acid, tretinoin, Vitamin A acid, Airol, Dermairol, Aknoten, Aberel, Eudyna, trans-Retinoic acid, Vesanoid, Aknefug, Renova, all-trans-Retinoic acid, Alitretinoin, Retin-A, Avita, Cordes vas, Epi-aberel, Effederm, Panretin

Molecular Formula: C20H28O2Molecular Weight: 300.435120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

• Trichostatin A
IUPAC Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide | CAS Registry Number: 58880-19-6
Synonyms: trichostatin A, Trichlostatin A, Tricostatin A, nchembio860-comp3, Antibiotic A-300, (R)-Trichostatin A, nchembio.147-comp4, nchembio815-comp20, NCGC_TSA, nchembio852-compR31, 1c3r, Trichostatin A (TSA), SGCTO-002, T8552_SIGMA, NChemBio.2007.18-comp3, CHEBI:46024, Trichostatin A from Streptomyces sp., AIDS096139, C17H22N2O3, AIDS-096139

Molecular Formula: C17H22N2O3Molecular Weight: 302.368180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RTKIYFITIVXBLE-QEQCGCAPSA-N

• Triptolide
Synonyms: triptolide, Triptolid, Triptolide (9CI), BSPBio_001595, KBioGR_000315, KBioSS_000315, MLS000759410, MLS001424107, PG490, KBio2_000315, KBio2_002883, KBio2_005451, KBio3_000629, KBio3_000630, Bio2_000315, Bio2_000795, NSC 163062, C20H24O6, CID107985, NSC163062

Molecular Formula: C20H24O6Molecular Weight: 360.400960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-N

• Tris(2-carboxyethyl)phosphine
IUPAC Name: 3-bis(3-oxido-3-oxopropyl)phosphanylpropanoate | CAS Registry Number: 51805-45-9
Synonyms: ZINC02517013, CID7015766

Molecular Formula: C9H12O6P-3Molecular Weight: 247.161741 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PZBFGYYEXUXCOF-UHFFFAOYSA-K


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