APAC Pharmaceutical, LLC

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Profile: APAC Pharmaceutical, LLC is a custom chemical and cGMP manufacturing company. We provide chemistry & manufacturing solutions for specialty chemical, pharmaceutical and bio-tech companies. Our specialty product lines are specialty intermediates, metabolites, research reference standards, and drug like compound libraries. These products represent highly characterized compounds of drug substances, impurities, degradation products, metabolites and performance calibrators. Our products include fondaparinux sodium, 2,3,0-(3-pentylidene)-d-gluceraldhyde, 4, 4 -difluoro-cyclohexane carboxylic acid, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, (s)-(-)-4-benzyl-2-oxazolidinone, d-(-)-2-aminobutylic acid, and (r)-tert-butanesulfinamide. We are also specialized in the research and production of synthetic peptides. We develop and manufacture custom peptides & custom cGMP peptides. We have a wide range of modified peptides such as those with unnatural amino acid, phosphorylation, terminal modifications and cyclization. We specialize in the modification of nucleosides and nucleotides. We offer a variety of modified and non-modified nucleoside/nucleotide as well as their analogs. We manufacture a variety of aromatic and unsaturated N, O, S heterocyclic ring including heteroaromatic synthons, complex heterocyclic systems & novel heteroaromatic compounds.

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• 4-bromo-1h-indol-6-ol
IUPAC Name: 4-bromo-1H-indol-6-ol | CAS Registry Number: 374633-28-0
Synonyms: 4-Bromo-6-hydroxyindole, 4-Bromo-1H-indol-6-ol, CTK4H8211, AKOS015960565, AB13574, AG-F-31643, AC-11486, AK139855, KB-240844

Molecular Formula: C8H6BrNOMolecular Weight: 212.043340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: FIFVIIXRKRKEOZ-UHFFFAOYSA-N

• 6-Methyl-Quinoxaline
IUPAC Name: 6-methylquinoxaline | CAS Registry Number: 6344-72-5
Synonyms: 6-Methylquinoxaline, Quinoxaline, 6-methyl-, ZINC01681127, NSC51327, CID242567, RDP 00265, InChI=1/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OSRARURJYPOUOV-UHFFFAOYSA-N

• 1-benzylpiperazine
IUPAC Name: 1-(phenylmethyl)piperazine | CAS Registry Number: 2759-28-6
Synonyms: 1-Benzylpiperazine, N-benzylpiperazine, Benzylpiperazine, 4-Benzylpiperazine, Piperazine, 1-benzyl-, nchembio814-comp10, 1-(phenylmethyl)piperazine, Piperazine, polymer-bound, Piperazine, 1-(phenylmethyl)-, 526290_ALDRICH, 547549_ALDRICH, Piperazine, 1-benzyl- (8CI), 13815_FLUKA, EINECS 220-423-6, 1-Benzylpiperazine dihydrochloride, NSC 40889, NSC40889, EINECS 226-188-6, SBB007534, AI3-52573

Molecular Formula: C11H16N2Molecular Weight: 176.258140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IQXXEPZFOOTTBA-UHFFFAOYSA-N

• 2-hydroxy-4-methoxybenzamide
IUPAC Name: 2-hydroxy-4-methoxybenzamide | CAS Registry Number: 6745-77-3
Synonyms: Ambap7081, ZINC04204347, CID4868377

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BCYRZPCPWKCINY-UHFFFAOYSA-N

• 4-Fluorosalicylic acid
IUPAC Name: 4-fluoro-2-hydroxybenzoic acid | CAS Registry Number: 345-29-9
Synonyms: Ambap5213, 554332_ALDRICH, EINECS 206-459-5, NSC109099, TL8002573

Molecular Formula: C7H5FO3Molecular Weight: 156.111203 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TTZOLDXHOCCNMF-UHFFFAOYSA-N

• 1(2H)-Isoquinolinone, 3,4-dihydro-5-hydroxy-
IUPAC Name: 5-hydroxy-3,4-dihydro-2H-isoquinolin-1-one | CAS Registry Number: 56469-02-4
Synonyms: 5-HYDROXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE, 5-hydroxy-3,4-dihydroisoquinolin-1(2H)-one, AG-F-98298, 3,4-Dihydro-5-hydroxy-1(2H)-isoquinolinone, F2135-0735, PubChem24135, SureCN830807, AGN-PC-00LMI5, SureCN8052967, CTK5A5165, MolPort-005-932-285, ANW-59190, ZINC14983335, AKOS005208201, MCULE-7924396737, AK-43990, AM807179, EN000528, KB-43397, A8095

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CMNQIVHHHBBVSC-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Pyridinecarboxylic Acid Hydrochloride
IUPAC Name: 2,4-dimethylpyridine-3-carboxylate | CAS Registry Number: 55314-30-2
Synonyms: ZINC04202615

Molecular Formula: C8H8NO2-Molecular Weight: 150.154620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYSA-M

• 6-Bromo-4-Cyanoindole
IUPAC Name: 6-bromo-1H-indole-4-carbonitrile | CAS Registry Number: 374633-26-8
Synonyms: 6-Bromo-4-cyanoindole, 6-Bromo-1H-indole-4-carbonitrile, SureCN2124251, CTK4H8209, 1H-Indole-4-carbonitrile,6-bromo-, ZINC02506895, AKOS015898450, AB13572, AG-F-31641, AC-11491, AK139854, I10-0773

Molecular Formula: C9H5BrN2Molecular Weight: 221.053400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZGACZDHTHZGXJB-UHFFFAOYSA-N

• 2,4,5-Trifluoronitrobenzene
IUPAC Name: 1,2,4-trifluoro-5-nitrobenzene | CAS Registry Number: 2105-61-5
Synonyms: Ambap4493, 1,2,4-Trifluoro-5-nitrobenzene, 258970_ALDRICH, 5-Nitro-1,2,4-trifluorobenzene, Benzene, 1,2,4-trifluoro-5-nitro-, NSC10248, EINECS 218-281-5, ZINC01706149, TL8001743

Molecular Formula: C6H2F3NO2Molecular Weight: 177.080790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ROJNMGYMBLNTPK-UHFFFAOYSA-N

• 2,4,6-Trifluoro-1,3,5-Triazine
IUPAC Name: 2,4,6-trifluoro-1,3,5-triazine | CAS Registry Number: 675-14-9
Synonyms: Trifluorotriazine, Cyanuric trifluoride, Trifluoro-s-triazine, CYANURIC FLUORIDE, s-Triazine, 2,4,6-trifluoro-, 2,4,6-Trifluoro-s-triazine, 2,4,6-Trifluoro-1,3,5-triazine, 2,4,6-Trifluoro-sym-triazine, 1,3,5-Triazine, 2,4,6-trifluoro-, s-Triazine, 2,4,6-trifluro-, HSDB 6406, 28625_FLUKA, EINECS 211-620-8, NSC 168386, WLN: T6N CN ENJ BF DF FF, BRN 0124237, NSC168386, ZINC01669280, SL-00569, LS-155578

Molecular Formula: C3F3N3Molecular Weight: 135.047410 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VMKJWLXVLHBJNK-UHFFFAOYSA-N

• 2-Chloro Fluoro Benzene
IUPAC Name: 1-chloro-2-fluorobenzene | CAS Registry Number: 348-51-6
Synonyms: o-Chlorofluorobenzene, o-Fluorochlorobenzene, m-Chlorofluorobenzene, m-Fluorochlorobenzene, 3-Chlorofluorobenzene, Benzene, 1-chloro-2-fluoro-, 1-CHLORO-2-FLUOROBENZENE, 1-Fluoro-2-chlorobenzene, Ambap1418, 1-Chloro-3-fluorobenzene, 1-Fluoro-3-chlorobenzene, Benzene, 1-chloro-3-fluoro-, 162302_ALDRICH, 1-CHLORO-2-FLOUROBENZENE, NSC10270, EINECS 206-476-8, EINECS 210-919-0, NSC 10270, NSC 10271, TL8002595

Molecular Formula: C6H4ClFMolecular Weight: 130.547363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N

• 2-Methyl Indole-3-Carboxaldehyde
IUPAC Name: 2-methyl-1H-indole-3-carbaldehyde | CAS Registry Number: 5416-80-8
Synonyms: 2-Methyl-3-formylindole, 3-Formyl-2-methylindole, 2-Methylindole-3-carboxaldehyde, 2-Methyl-1H-indole-3-carbaldehyde, 262439_ALDRICH, ARONIS016725, NSC11895, TOS-BB-0651, 1H-Indole-3-carboxaldehyde, 2-methyl-, CID73166, EINECS 226-512-6, Indole-3-carboxaldehyde, 2-methyl-, NSC 11895, SBB015331, ZINC00164956, Indole-3-carboxaldehyde, 2-methyl- (8CI), TL8003556, M-3999, InChI=1/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H

Molecular Formula: C10H9NOMolecular Weight: 159.184560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYZIVXOEJNAIBS-UHFFFAOYSA-N

• 2,3,4-Trimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoate | CAS Registry Number: 33130-03-9
Synonyms: ZINC00153644, CID5549419

Molecular Formula: C12H13O5-Molecular Weight: 237.228620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZYOPDNLIHHFGEC-FNORWQNLSA-M

• 2,4-Difluoro Benzonitrile
IUPAC Name: 2,4-difluorobenzonitrile | CAS Registry Number: 3939-09-1
Synonyms: 2,4-Difluorobenzonitrile, Benzonitrile, 2,4-difluoro-, 264326_ALDRICH, ZINC00159425, BB_SC-3006, CID77545, JRD-0080, EINECS 223-523-8, 3S210990

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LJFDXXUKKMEQKE-UHFFFAOYSA-N

• 3-Fluoro Phenyl Acetic Acid
IUPAC Name: 2-(3-fluorophenyl)acetic acid | CAS Registry Number: 331-25-9
Synonyms: 3-Fluorophenylacetic acid, 3-Fluorophenlacetic acid, m-Fluorophenylacetic acid, (m-Fluorophenyl)acetic acid, Benzeneacetic acid, 3-fluoro-, NCIOpen2_001447, Acetic acid, (m-fluorophenyl)-, 248045_ALDRICH, JRD-0017, NSC88344, EINECS 206-360-7, NSC 88344, TL8002500, PB271215314

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YEAUYVGUXSZCFI-UHFFFAOYSA-N

• 2,4,6-Trimethylaniline
IUPAC Name: 2,4,6-trimethylaniline | CAS Registry Number: 88-05-1
Synonyms: Mesidine, Aminomesitylene, Mesitylamine, Mesidin, 2-Aminomesitylene, Mesidin [Czech], Mesitylene, 2-amino-, Aniline, 2,4,6-trimethyl-, 2,4,6-TRIMETHYLANILINE, Benzenamine, 2,4,6-trimethyl-, 2,4,6-Trimethylbenzenamine, CCRIS 2871, HSDB 2694, 2-Amino-1,3,5-trimethylbenzene, 132179_ALDRICH, 92290_FLUKA, EINECS 201-794-3, ZINC01555241, 1-Amino-2,4,6-trimethylbenzen [Czech], LS-20005

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KWVPRPSXBZNOHS-UHFFFAOYSA-N

• 2,4-Thiazolidine Dione
IUPAC Name: 1,3-thiazolidine-2,4-dione | CAS Registry Number: 2295-31-0
Synonyms: Thiazolidinedione, 2,4-Dioxothiazolidine, 2,4-THIAZOLIDINEDIONE, 2,4(3H,5H)-Thiazoledione, Thiazolidinedione-2,4, WLN: T5SVMV EHJ, USAF EK-5496, 1,3-Thiazolidine-2,4-dione, thiazolidinedione deriv. 21, NSC6745, 375004_ALDRICH, 2,4-thiazolidinedione potassium, NSC 6745, CHEBI:50992, EINECS 218-941-2, Potassium 2,4-dioxothiazolidinate, AIDS019667, AIDS-019667, BRN 0110700, SBB000047

Molecular Formula: C3H3NO2SMolecular Weight: 117.126420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZOBPZXTWZATXDG-UHFFFAOYSA-N

• 2,6-Difluoroaniline
IUPAC Name: 2,6-difluoroaniline | CAS Registry Number: 5509-65-9
Synonyms: Benzenamine, 2,6-difluoro-, 196614_ALDRICH, BB_SC-4594, EINECS 226-853-0, NSC127234, ZINC00159273, D155, TL8003601, InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H

Molecular Formula: C6H5F2NMolecular Weight: 129.107406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ODUZJBKKYBQIBX-UHFFFAOYSA-N

• 2-Acetyl Furan
IUPAC Name: 1-furan-2-ylethanone | CAS Registry Number: 1192-62-7
Synonyms: Acetylfuran, 2-Acetylfuran, 2-Furylethanone, Ketone, 2-furyl methyl, 2-Furyl methyl ketone, 1-(2-Furyl)ethanone, Furan, 2-acetyl-, Methyl 2-furyl ketone, Ethanone, 1-(2-furanyl)-, FEMA No. 3163, CCRIS 3161, 1-(2-FURANYL)ETHANONE, A16254_ALDRICH, 2-Furyl methyl ketone (natural), W316318_ALDRICH, W316350_ALDRICH, NSC 4665, 48200_FLUKA, EINECS 214-757-1, NSC4665

Molecular Formula: C6H6O2Molecular Weight: 110.110640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N

• 2-Amino-6-Thiocyano Benzothiazole
IUPAC Name: (2-amino-1,3-benzothiazol-6-yl) thiocyanate | CAS Registry Number: 7170-77-6
Synonyms: 2-Amino-6-thiocyanatobenzothiazole, 546887_ALDRICH, NSC327380, CID81600, EINECS 230-524-7, 2-Amino-6-benzothiazolyl thiocyanate, 6-Thiocyanato-benzothiazol-2-ylamine, ZINC00341548, NSC 327380, BAS 00328997, ST5223379, Thiocyanic acid, 2-amino-6-benzothiazolyl ester, 196393-88-1

Molecular Formula: C8H5N3S2Molecular Weight: 207.275400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FVNSRFMQXKMHTQ-UHFFFAOYSA-N

• 2-Amino-L-Phenol-4-Sulphonylamide
IUPAC Name: 3-amino-4-hydroxybenzenesulfonamide | CAS Registry Number: 98-32-8
Synonyms: Aminophenol sulfamide, 4-Hydroxymetanilamide, Metanilamide, 4-hydroxy-, o-Aminophenol-p-sulfonamide, 2-Aminophenol-4-sulfonamide, 3-Amino-4-hydroxybenzenesulfonamide, Benzenesulfonamide, 3-amino-4-hydroxy-, NSC4976, Metanilamide, 4-hydroxy- (8CI), CID66814, NSC 4976, 3-Amino-4-hydroxybenzenesulphonamide, EINECS 202-657-0, 3-Amino-4-hydroxy-benzenesulfonamide, ZINC03896051, BAS 00336947, ST5223920, EU-0066943

Molecular Formula: C6H8N2O3SMolecular Weight: 188.204320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AVQFHKYAVVQYQO-UHFFFAOYSA-N

• 2-Cyano-4-Nitro-6-Bromo Aniline
IUPAC Name: 2-amino-3-bromo-5-nitrobenzonitrile | CAS Registry Number: 17601-94-4
Synonyms: 516929_ALDRICH, 2-Amino-3-bromo-5-nitrobenzonitrile, ZINC03878826, CID87173, EINECS 241-574-4, 2-Amino-3-bromo-1-cyano-5-nitrobenzene, Benzonitrile, 2-amino-3-bromo-5-nitro-, ST010156

Molecular Formula: C7H4BrN3O2Molecular Weight: 242.029560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MUHLVSZIVTURCZ-UHFFFAOYSA-N

• 2-Ethyl-4-Methylimidazole
IUPAC Name: 2-ethyl-5-methyl-1H-imidazole | CAS Registry Number: 931-36-2
Synonyms: 2-Ethyl-4-methylimidazole, 4-Methyl-2-ethylimidazole, Imidazole, 2-ethyl-4-methyl-, 1H-Imidazole, 2-ethyl-4-methyl-, Imidazole C-2 deriv. 2, E36652_ALDRICH, MLS001074880, EINECS 213-234-5, NSC 82315, NSC82315, SBB004334, ZINC04555707, Imidazole, 2-ethyl-4-methyl- (8CI), LS-78707, SMR000568404, InChI=1/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8, 65992-40-7, 81833-71-8

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ULKLGIFJWFIQFF-UHFFFAOYSA-N

• 3-(N,N-Dihydroxyethyl)Amino-4-Methoxy Acetanilide
IUPAC Name: N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide | CAS Registry Number: 24530-67-4
Synonyms: 556742_ALDRICH, EINECS 246-300-7, 4-Acetylamino-2-(bis(2-hydroxyethyl)amino)anisole, 3'-[Bis(2-hydroxyethyl)amino]-4'-methoxyacetamilde, N-(3-(Bis(2-hydroxyethyl)amino)-4-methoxyphenyl)acetamide, Acetamide, N-(3-(bis(2-hydroxyethyl)amino)-4-methoxyphenyl)-, 58195-14-5

Molecular Formula: C13H20N2O4Molecular Weight: 268.308900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UIQVGOZJVVAPOV-UHFFFAOYSA-N

• 3-Hydroxy Thiophenol
IUPAC Name: 3-sulfanylphenol | CAS Registry Number: 40248-84-8
Synonyms: 3-Hydroxythiophenol, 3-sulfanylphenol, 3-Mercaptophenol, 3-Hydroxybenzenethiol, 3-Hydroxy thiophenol, 3-Sulphanylphenol, PubChem6829, Phenol, 3-mercapto-, ACMC-209jca, AC1MC5YX, SureCN21502, KSC235M9N, 568899_ALDRICH, Jsp006961, CTK1D5696, DOFIAZGYBIBEGI-UHFFFAOYSA-, MolPort-001-757-023, ANW-29336, OR0777, AKOS007930181

Molecular Formula: C6H6OSMolecular Weight: 126.176240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DOFIAZGYBIBEGI-UHFFFAOYSA-N

• 3-Indole Acetic Acid
IUPAC Name: 2-(1H-indol-3-yl)acetic acid | CAS Registry Number: 87-51-4
Synonyms: indoleacetic acid, Heteroauxin, Rhizopin, 3-Indoleacetic acid, auxin, indole-3-acetic acid, indoleacetate, Hexteroauxin, Rhizopon A, 1H-Indole-3-acetic acid, indole-3-acetate, Acetic acid, indolyl-, 3-Iaa, beta-Indoleacetic acid, 3-(Carboxymethyl)indole, Heteroauxinhexteroauxiniaa, alpha-IAA, beta-Indolylacetic acid, Indol-3-ylacetic acid, beta-IAA

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SEOVTRFCIGRIMH-UHFFFAOYSA-N

• 6-Nitro 1,2,4 Diazo Acid (Ndnsa)
IUPAC Name: 4-diazonio-3-hydroxy-7-nitronaphthalene-1-sulfonate | CAS Registry Number: 5366-84-7
Synonyms: EINECS 264-347-1, CID113367, 4-Diazo-3,4-dihydro-7-nitro-3-oxonaphthalene-1-sulphonic acid, 1-Naphthalenesulfonic acid, 4-diazo-3,4-dihydro-7-nitro-3-oxo-, 101667-26-9, 117255-15-9, 123216-22-8, 155668-12-5, 172683-35-1, 63589-25-3, 65180-76-9, 92815-48-0

Molecular Formula: C10H5N3O6SMolecular Weight: 295.228200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: CCFWJWRQXDDAEJ-UHFFFAOYSA-N

• 2,5-Difluorotoluene
IUPAC Name: 1,4-difluoro-2-methylbenzene | CAS Registry Number: 452-67-5
Synonyms: Ambap5728, Benzene, 1,4-difluoro-2-methyl-, NSC25757, CID67980, EINECS 207-205-6, AI3-52231, TL8003141

Molecular Formula: C7H6F2Molecular Weight: 128.119346 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YSNVKDGEALPJGC-UHFFFAOYSA-N

• 5-Amino-2-fluorobenzonitrile
IUPAC Name: 5-amino-2-fluorobenzonitrile | CAS Registry Number: 53312-81-5
Synonyms: 3-Cyano-4-fluoroaniline, 2-fluoro-5-aminobenzonitrile, SBB064176, ZINC02565103, 3-cyano-4-fluoro aniline, 3-Cyano-4-fluoroaniline;, SureCN145984, AC1MC7O1, AC1Q51KZ, 3-amino-6-fluorobenzonitrile, KSC494A6L, 5-amino-2-fluoro benzonitrile, 5-Amino-2-fluoro-benzonitrile, 639877_ALDRICH, AC1Q521D, 3-CYANO-4-FLUOROANILIN, CTK3J4065, MolPort-000-151-066, 5-amino-2-fluorobenzenecarbonitrile, ACN-S003814

Molecular Formula: C7H5FN2Molecular Weight: 136.126403 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HHTRAISBAAXRKZ-UHFFFAOYSA-N

• 6-(2-Hydroxyethylamino)-1,3-dimethyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-(2-hydroxyethylamino)-1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 5770-44-5
Synonyms: 6-[N-(2-Hydroxyethyl)amino]-1,3-dimethyl-2,4(1H,3H)-dione, AB-323/25048033, 6-(2-hydroxyethylamino)-1,3-dimethylpyrimidine-2,4-dione, ZINC02023479, AC1LVV5M, AC1Q3XPS, SureCN9205218, Oprea1_455638, CTK5A7307, MolPort-001-847-250, SBB092454, AKOS006273401, AC-4717, AG-G-03832, RP25687, HC210322, KB-198758, FT-0635846, A831565, I03-0354

Molecular Formula: C8H13N3O3Molecular Weight: 199.207120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XANWQZBIYRXADC-UHFFFAOYSA-N

• 3-Nitrophthalic anhydride
IUPAC Name: 4-nitro-2-benzofuran-1,3-dione | CAS Registry Number: 641-70-3
Synonyms: Phthalic anhydride, 3-nitro-, 1,3-Isobenzofurandione, 4-nitro-, Phthalic anhydride, 4-nitro-, 4-Nitrophthalic acid anhydride, 156884_ALDRICH, CCRIS 4684, 5-Nitro-1,3-isobenzofurandione, 4-NITROPHTHALIC ANHYDRIDE, 73780_FLUKA, NSC4134, 4-Nitro-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, 5-nitro-, NSC 4134, NSC27006, EINECS 211-373-6, EINECS 226-776-2, NSC 26424, NSC 27006, Phthalic anhydride, 3-nitro- (8CI), BRN 0179682

Molecular Formula: C8H3NO5Molecular Weight: 193.113120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ROFZMKDROVBLNY-UHFFFAOYSA-N

• (S)-(+)-2-Methylpiperazine
IUPAC Name: (2S)-2-methylpiperazine | CAS Registry Number: 74879-18-8
Synonyms: (S)-2-Methylpiperazine, (2S)-2-methylpiperazine, S-MP, (S)-2-Methyl-Piperazine, AG-G-98021, PIPERAZINE, 2-METHYL-, (2S)-, s-2-methylpiperazine, PubChem9701, PubChem15035, 2-(s)-methylpiperazine, (S)-3-Methylpiperazine, AC1MC0MO, (-)-2-Methylpiperazine, SureCN16558, UNII-C5VI3S1YC0, s-(+)-2-methylpiperazine, AC1Q29PO, 2-Methylpiperazine, (S)-, S-(-)-2-Methylpiperazine, s-(+)-2-methyl piperazine

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N

• 3-Indolylacetonitrile
IUPAC Name: 2-(1H-indol-3-yl)acetonitrile | CAS Registry Number: 771-51-7
Synonyms: Indole-3-acetonitrile, 3-Indoleacetonitrile, Indoleacetonitrile, Indolylacetonitril, Indolylacetonitrile, 3-(Cyanomethyl)indole, Indol-3-ylacetonitrile, 3-Indolacetonitrile, 1H-Indole-3-acetonitrile, Acetonitrile, 3-indolyl-, INDOLEYL-CPD, (indol-3-yl)acetonitrile, USAF CB-29, indole-3-ylacetonitrile, (Indole-3-yl)acetonitrile, 1H-Indol-3-ylacetonitrile, (3-Indolyl)acetonitrile, CCRIS 5807, Indole-3-acetonitrile (8CI), WLN: T56 BMJ D1CN

Molecular Formula: C10H8N2Molecular Weight: 156.183920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DMCPFOBLJMLSNX-UHFFFAOYSA-N

• 3-Methylthiophenylboronic Acid
IUPAC Name: (3-methylsulfanylphenyl)boronic acid | CAS Registry Number: 128312-11-8
Synonyms: 3-(Methylthio)phenylboronic acid, 3-(Methylthio)benzeneboronic Acid, 3-methylthiobenzeneboronic acid, 3-(Meththio)phenylboronic acid, 3-(Methylthio)phenyl-boronic acid, 3-(methylsulfanyl)phenylboronic acid, [3-(methylsulfanyl)phenyl]boranediol, (3-methylsulfanylphenyl)boronic Acid, PubChem1789, ACMC-1CDY5, 3-BORONOTHIOANISOLE, SureCN133330, AC1MC10F, AC1Q4GX1, KSC489K7T, 3-Methylthiophenylboronic acid,, 526002_ALDRICH, Jsp001761, CTK3I9579, MolPort-000-139-854

Molecular Formula: C7H9BO2SMolecular Weight: 168.021160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: TYVPOLHSKGEXIH-UHFFFAOYSA-N

• 5-Amino-2-Chloro Pyridine
IUPAC Name: 6-chloropyridin-3-amine | CAS Registry Number: 5350-93-6
Synonyms: 5-Amino-2-chloropyridine, NSC81, 2-Chloro-5-aminopyridine, 3-Amino-6-chloropyridine, 6-chloropyridin-3-ylamine, 3-Pyridinamine, 6-chloro-, TPC-PY039, 188778_ALDRICH, CID79305, EINECS 226-322-3, SBB004234, ZINC00331618, A139, TL806260, AC-907/25014053, InChI=1/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H

Molecular Formula: C5H5ClN2Molecular Weight: 128.559600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QAJYCQZQLVENRZ-UHFFFAOYSA-N

• 3-Cyano-2,6-dihydroxy-5-fluoropyridine
IUPAC Name: 5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile | CAS Registry Number: 113237-18-6
Synonyms: 2,6-Dihydroxy-5-fluoro-3-cyanopyridine, 5-fluoro-2,6-dihydroxypyridine-3-carbonitrile, 5-fluoro-2,6-dihydroxynicotinonitrile, 3-cyano-2,6-dihydroxy-5-fluoropyridine, AN-668/25093007, 3-Pyridinecarbonitrile,5-fluoro-1,2-dihydro-6-hydroxy-2-oxo-, ACMC-1BVQT, AC1LGEK7, SureCN3686316, SureCN7903836, Jsp001030, CTK4A8159, MolPort-003-802-979, SBB065257, AKOS006277485, AG-D-32922, AC-11751, KB-31380, 2,6-Dihydroxy-5-fluoro-3-cyano-pyridine, 3-Cyano-2,6-dihydroxy-5-fluoropyridine;

Molecular Formula: C6H3FN2O2Molecular Weight: 154.098623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JWNUZZLUDDUXPO-UHFFFAOYSA-N

• 4-Methyl-3-nitroanisole
IUPAC Name: 4-methoxy-1-methyl-2-nitrobenzene | CAS Registry Number: 17484-36-5
Synonyms: 3-Nitro-4-methylanisole, 4-Methoxy-2-nitrotoluene, Anisole, 4-methyl-3-nitro-, 139823_ALDRICH, 68008_FLUKA, ZINC02567949, CID87137, Benzene, 4-methoxy-1-methyl-2-nitro-, EINECS 241-500-0, SBB008488, FR-2165, ST5406610, TL8001387, InChI=1/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JBORNNNGTJSTLC-UHFFFAOYSA-N

• 4-Bromophenylacetic acid
IUPAC Name: 2-(4-bromophenyl)acetic acid | CAS Registry Number: 1878-68-8
Synonyms: 4-Bromophenyl acetate, (4-Bromophenyl)acetic acid, 4-Bromobenzeneacetic acid, 4-Bromophenyl acetic acid, P-BROMOPHENYLACETIC ACID, (p-Bromophenyl)acetic acid, Benzeneacetic acid, 4-bromo-, 2-(4-Bromophenyl)acetic acid, Acetic acid, (p-bromophenyl)-, p-Bromphenylessigsaure [German], 138673_ALDRICH, EINECS 217-523-7, Acide p-bromophenylacetique [French], NSC 14358, NSC14358, BRN 0972146, LS-11168, ST5308544, TL8001523, C03076

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QOWSWEBLNVACCL-UHFFFAOYSA-N

• 5,6-Dimethoxy-1-Indanone
IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one | CAS Registry Number: 2107-69-9
Synonyms: 5,6-Dimethoxy-1-indanone, 5,6-Dimethoxyindan-1-one, 147826_ALDRICH, NSC401450, CID75018, EINECS 218-287-8, ZINC00164394, NSC 401450, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-, ST5308464, TL8001751, InChI=1/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IHMQOBPGHZFGLC-UHFFFAOYSA-N

• 2,5-Difluorobromobenzene
IUPAC Name: 2-bromo-1,4-difluorobenzene | CAS Registry Number: 399-94-0
Synonyms: 1-Bromo-2,5-difluorobenzene, 2-Bromo-1,4-difluorobenzene, 247952_ALDRICH, Benzene, 2-bromo-1,4-difluoro-, JRD-0410, NSC10250, EINECS 206-920-0, ZINC00160131, ST5405330, TL8002891, InChI=1/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3

Molecular Formula: C6H3BrF2Molecular Weight: 192.988826 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XCRCSPKQEDMVBO-UHFFFAOYSA-N

• 4-Bromobenzocyclobutene
IUPAC Name: 4-bromobicyclo[4.2.0]octa-1(6),2,4-triene | CAS Registry Number: 1073-39-8
Synonyms: 3-bromobicyclo[4.2.0]octa-1,3,5-triene, 3-Bromo-bicyclo[4.2.0]octa-1,3,5-triene, SureCN13594, 4-BROMO-BENZOCYCLOBUTANE, MolPort-005-932-665, AC-157, ANW-50156, AKOS006290829, AK-54784, BR-54784, L661, AM20020174, Bicyclo[4.2.0]octa-1,3,5-triene, 3-bromo-

Molecular Formula: C8H7BrMolecular Weight: 183.045180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GMHHTGYHERDNLO-UHFFFAOYSA-N

• 5-Methylsalicylamide
IUPAC Name: 2-hydroxy-5-methylbenzamide | CAS Registry Number: 39506-61-1
Synonyms: 5-MethylSalicylamide, 2-hydroxy-5-methylbenzamide, 5-methyl salicylamide, 5-METHYLSALICYAMIDE, SureCN552239, 5-methyl-2-oxidanyl-benzamide, Benzamide,2-hydroxy-5-methyl-, Jsp006857, CTK4I1444, MolPort-004-363-487, ANW-60697, SBB070030, ZINC02566111, AKOS000207076, AG-F-39613, MB00262, BENZAMIDE, 2-HYDROXY-5-METHYL-, AK-82783, FT-0639547, V1242

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YNAXKCRTFJQYDT-UHFFFAOYSA-N

• 3-amino-3-(furan-2-yl)-propionic Acid
IUPAC Name: 3-amino-3-furan-2-ylpropanoic acid | CAS Registry Number: 73456-99-2
Synonyms: Oprea1_170298, Oprea1_274685, ZERO/001588, ALBB-006074, 3-amino-3-(2-furyl)propanoic acid, 2-Furanpropionic acid, .beta.-amino-, 3-Amino-3-furan-2-yl-propionic acid, Propanoic acid, 3-amino-3-(2-furyl)-, BAS 00919057, EU-0099961

Molecular Formula: C7H9NO3Molecular Weight: 155.151260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YIKVKIOGYSPIMP-UHFFFAOYSA-N

• 4-(2,3-Epoxypropoxy)carbazole
IUPAC Name: 4-(oxiran-2-ylmethoxy)-9H-carbazole | CAS Registry Number: 51997-51-4
Synonyms: 4-Glycidyloxycarbazole, 4-Epoxypropanoxycarbazole, 4-(oxiran-2-ylmethoxy)-9H-carbazole, 4-(2,3-Epoxypropoxy)-carbazole, 4-(2-oxiranylmethoxy)-9H-carbazole, (S)-4-(2,3-Epoxypropoxy)-9H-carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-, (R)-, PubChem9367, ACMC-20epf7, ACMC-209kx8, 4-Oxiranylmethoxy-carbazole, AC1NN40L, UNII-VX4N43V2E1, KSC496E2T, 4-Oxiranylmethoxy-9H-carbazole, AGN-PC-00628C, CTK3J6229, MolPort-003-847-071, 4-(2,3-epoxypropaneoxy)carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-

Molecular Formula: C15H13NO2Molecular Weight: 239.269220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N

• 3-Methoxy-4,5-Methylenedioxybenzaldehyde
IUPAC Name: 7-methoxy-1,3-benzodioxole-5-carbaldehyde | CAS Registry Number: 5780-07-4
Synonyms: Myristic aldehyde, Myristicin aldehyde, ZINC02146907, CID22016, ZERO/009383, EINECS 227-304-8, 3-Methoxy-4,5-methylenedioxybenzaldehyde, 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-, 7-Methoxy-1,3-benzodioxole-5-carbaldehyde, AI3-24290, 7-Methoxybenzo-1,3-dioxole-5-carboxaldehyde, 7-METHYOXY-1,3-BENZODIOXOLE-5-CARBOXALDEHYDE

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LOFRBHZYZCIOJO-UHFFFAOYSA-N

• 3-Bromobenzanthrone
IUPAC Name: 3-bromobenzo[a]phenalen-7-one | CAS Registry Number: 81-96-9
Synonyms: 3-Brombenzanthrone, Benzanthrone, 3-bromo-, 7-Bromomesobenzanthrone, 3-Bromobenz(d,e)anthrone, 3-Bromobenz[d,e]anthrone, 3-Bromobenz(de)anthracen-7-one, EINECS 201-390-7, CID6696, 7H-Benz[de]anthracen-7-one, 3-bromo-, NSC 13976, 3-Bromo-7H-benz(de)anthracen-7-one, BB_SC-4389, NSC13976, BRN 1975512, STK801556, ZINC03875547, 3-Bromo-7H-benz[de]anthracen-7-one, 3-Bromo-7H-benzo[de]anthracen-7-one, WLN: L C6666 1A Q IVJ OE, LS-27946

Molecular Formula: C17H9BrOMolecular Weight: 309.156760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WVECFEIAZAKUNF-UHFFFAOYSA-N

• 2,4-Dinitroaniline
IUPAC Name: 2,4-dinitroaniline | CAS Registry Number: 97-02-9
Synonyms: 2,4-DINITROANILINE, Aniline, 2,4-dinitro-, 2,4-Dinitraniline, Benzenamine, 2,4-dinitro-, 2,4-Dinitroanilin, 2,4-Dinitroanilina, 2,4-Dinitrobenzenamine, 2,4-Dinitrophenylamine, 1-Amino-2,4-dinitrobenzene, WLN: WNR BZ ENW, 2,4-Dinitroanilin [German], 2,4-Dinitroanilina [Italian], CCRIS 2872, ghl.PD_Mitscher_leg0.930, HSDB 1142, D193011_ALDRICH, 45963_RIEDEL, NCI-C60753, NSC 8731, EINECS 202-553-5

Molecular Formula: C6H5N3O4Molecular Weight: 183.121600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LXQOQPGNCGEELI-UHFFFAOYSA-N

• 2,9-Diacetylguanine
IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide | CAS Registry Number: 3056-33-5
Synonyms: N2,9-Diacetylguanine, Ambap758, 377899_ALDRICH, EINECS 221-287-0, SBB009975, TL8002355, N-(9-Acetyl-6,9-dihydro-6-oxo-1H-purin-2-yl)acetamide

Molecular Formula: C9H9N5O3Molecular Weight: 235.199460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GILZZWCROUGLIS-UHFFFAOYSA-N

• 1,8-Dinitronaphthalene
IUPAC Name: 1,8-dinitronaphthalene | CAS Registry Number: 602-38-0
Synonyms: 1,8-DINITRONAPHTHALENE, Naphthalene, 1,8-dinitro-, CCRIS 2840, NSC 6323, CHEBI:50642, EINECS 210-016-1, NSC6323, BRN 1881846, ZINC01693402, AI3-08844, LS-1434, 4-05-00-01681 (Beilstein Handbook Reference), InChI=1/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6

Molecular Formula: C10H6N2O4Molecular Weight: 218.165640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AVCSMMMOCOTIHF-UHFFFAOYSA-N

• 9-Amino-1,2,3,4-Tetrahydro-Benzo[E][1,4]Diazepin-5-One
IUPAC Name: 9-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one | CAS Registry Number: 328546-66-3
Synonyms: Aminobenzodiazapine, 9-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one, AC1MCKF1, SureCN12750356, CTK4G9433, ZINC06732185, AKOS005254261, AG-F-10166, GL-0196, MCULE-2511814766, OR01685, AC-11854, 5H-1,4-Benzodiazepin-5-one,9-amino-1,2,3,4-tetrahydro-, 9-Amino-1,2,3,4-tetrahydro-1,4-benzo[e]diazepin-5-one, 9-Amino-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 9-AMINO-1,2,3,4-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-5-ONE;9-AMINO-1,2,3,4-TETRAHYDRO-5H-1,4-BENZODIAZEPIN-5-ONE;AMINOBENZODIAZAPINE;9-Amino-1,2,3,4-tetrahydro-1,4-benzo[e]diazepin-5-one

Molecular Formula: C9H11N3OMolecular Weight: 177.203140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: XVHVPDMTBPMQAQ-UHFFFAOYSA-N


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