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APAC Pharmaceutical, LLC

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Contact: Andy Yao
Web: http://www.apacpharma.com
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Address: 6851 Oak Hall Lane, Suite 101, Columbia, Maryland 21045, USA
Phone: +1-(410)-997-5552, 469-0727 | Fax: +1-(410)-309-5955 | Map/Directions >>

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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• 6-Bromo-4-Methoxyindole
IUPAC Name: 6-bromo-4-methoxy-1H-indole | CAS Registry Number: 393553-57-6
Synonyms: 6-Bromo-4-methoxy-1H-indole, 6-Bromo-4-methoxyindole, 6-Bromo-4-methoxy indole, SureCN1163434, 1H-Indole,6-bromo-4-methoxy-, CTK4I1287, MolPort-005-932-980, ANW-73088, RW3741, ZINC02384132, AKOS008901351, AB13682, AG-F-39069, QC-2953, AC-11490, AK109006, KB-247939, I10-0775

Molecular Formula: C9H8BrNOMolecular Weight: 226.069920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WPFDDPXFOMVGIN-UHFFFAOYSA-N

• 6,7-Dimethoxy-L-1,2,3,4-Tetrahydroisoquinoline 3-Carboxylic Acid Hydrochloride
IUPAC Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate | CAS Registry Number: 103733-66-0
Synonyms: ZINC00404044, ZINC00404045, CID6951266

Molecular Formula: C12H15NO4Molecular Weight: 237.251800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BWYXEHBJIMGDEB-VIFPVBQESA-N

• (2r,3s)-4-Methylidene-5-Oxo-2-N-Octyl-Oxolane-3-Carboxylic Acid
IUPAC Name: (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid | CAS Registry Number: 191282-48-1
Synonyms: trans-C 75, AmbTiC10051, nchembio.2007.54-comp3, CHEBI:513555, MolPort-000-002-437, AIDS339881, AIDS-339881, CID6482234, C10051, 4-Methylene-2-octyl-5-oxo-tetrahydro-furan-3-carboxylic acid, (2S,3R)-4-methylene-2-octyl-5-oxo-tetrahydrofuran-3-carboxylic acid

Molecular Formula: C14H22O4Molecular Weight: 254.322080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VCWLZDVWHQVAJU-NWDGAFQWSA-N

• 2-Bromomethyl-6-Pyridine Carboxylic Acid Methyl Ester
IUPAC Name: methyl 6-(bromomethyl)pyridine-2-carboxylate | CAS Registry Number: 146462-25-1
Synonyms: Methyl 6-(bromomethyl)picolinate, 2-Bromomethyl-6-pyridine carboxylic acid methyl ester, Methyl 2-bromomethyl-6-pyridinecarboxylate, 2-BROMOMETHYL-6-PYRIDINECARBOXYLIC ACID METHYL ESTER, ACMC-209ylh, SureCN1181244, Jsp002702, CTK0H3330, MolPort-005-932-956, AC-181, ANW-49107, ZINC02507102, AKOS008901281, AB13868, AG-D-90841, RP27865, AK-29873, BR-29873, AB1007143, KB-169098

Molecular Formula: C8H8BrNO2Molecular Weight: 230.058620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GLLACFRFEBEMED-UHFFFAOYSA-N

• 3-Azetidinecarboxylic Acid, Hydrochloride (1:1)
IUPAC Name: azetidine-3-carboxylic acid;hydrochloride | CAS Registry Number: 102624-96-4
Synonyms: AZETIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE, azetidine-3-carboxylic acid hcl, 3-Azetidinecarboxylicacid, hydrochloride (1:1), AG-D-12200, Azetidine-3-carboxylicacidhydrochloride, ACMC-20aa5k, AGN-PC-00MENN, SureCN563782, CTK0H2441, MolPort-002-499-387, ANW-64086, SBB067854, AKOS015848389, RL00122, 3-azetidinecarboxylic acid, hydrochloride, AK-51613, KB-47483, FT-0655400, A-2379, A13577

Molecular Formula: C4H8ClNO2Molecular Weight: 137.564820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: RNIZUCJGSDJAOQ-UHFFFAOYSA-N

• 1,2,3,6-Tetrahydro-1-Methyl-4-(2,4,6-Trimethoxyphenyl)-Pyridine
IUPAC Name: 1-methyl-4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine | CAS Registry Number: 113225-07-3
Synonyms: 1-METHYL-4-(2,4,6-TRIMETHOXYPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE, Pyridine,1,2,3,6-tetrahydro-1-methyl-4-(2,4,6-trimethoxyphenyl)-, ACMC-1BT2G, SureCN298857, CTK4A8156, AKOS007930095, AG-D-32908, AK-55592, 1,2,3,6-Tetrahydro-1-methyl-4-(2,4,6-trimethoxyphenyl)-pyridine

Molecular Formula: C15H21NO3Molecular Weight: 263.332140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VWRZNLHDQXFHDR-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

• 2,3-Quinolinedicarboxylic acid, 2,3-dimethyl ester
IUPAC Name: dimethyl quinoline-2,3-dicarboxylate | CAS Registry Number: 17507-03-8
Synonyms: Dimethyl Quinoline-2,3-dicarboxylate, Quinoline-2,3-dicarboxylic acid dimethyl ester, Quinoline-2,3-dicarboxylic acid dimethylester, Dimethyl 2,3-quinolinedicarboxylate, AG-E-24690, PubChem6122, SureCN68891, KSC535C4R, Jsp003586, CTK4D5148, MolPort-005-932-696, dimethylquinoline-2,3-dicarboxylate, ANW-59973, SBB066316, ZINC21983173, AKOS015854378, AC-11025, AK-28681, KB-50077, FT-0602622

Molecular Formula: C13H11NO4Molecular Weight: 245.230740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LJLAVRGABNTTSN-UHFFFAOYSA-N

• 2H-Isoindole-2-propanoic acid, a-acetyl-1,3-dihydro-1,3-dioxo-, ethyl ester
IUPAC Name: ethyl 2-[(1,3-dioxoisoindol-2-yl)methyl]-3-oxobutanoate | CAS Registry Number: 16880-35-6
Synonyms: SCHEMBL5998387, AKOS015960540, HE058516, ETHYL 2-(N- PHTHALIMIDOMETHYL)-3-OXOBUTYRATE, 2-(1,3-Dioxo-2H-isoindole-2-ylmethyl)-3-oxobutanoic acid ethyl ester, A-acetyl-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoic acid ethyl ester

Molecular Formula: C15H15NO5Molecular Weight: 289.287 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ADRZKSCWMUVSDY-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

• 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

• 4-Amino-2-Methyl-10-H Thieno (2,3b)(1,5)-Benzodiazapin
IUPAC Name: 2-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-amine;hydrochloride | CAS Registry Number: 138564-60-0
Synonyms: 4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochloride, 4-Amino-2-methyl-10H-thieno[2,3-b][1,5] benzodiazapine HCl, 2-Methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine hydrochloride, 2-methyl-10H-benzo[b]thiopheno[3,2-f]1,4-diazepine-4-ylamine, chloride, SureCN937256, AGN-PC-00EA9V, CTK6C5841, MolPort-000-854-397, BB_SC-4610, SBB001030, AKOS000277837, AC-5499, AG-A-71353, MCULE-1167350983, RP29462, AK-25403, BR-25403, ST060217, AB1008597, TL8006140

Molecular Formula: C12H12ClN3SMolecular Weight: 265.761780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: FYWKZVBFQWWTHT-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

• 4,6-Dichloropyridine-3-carboxylic acid
IUPAC Name: 4,6-dichloropyridine-3-carboxylic acid | CAS Registry Number: 73027-79-9
Synonyms: 4,6-dichloronicotinic acid, 4,6-DICHLORO NICOTINIC ACID, 2,4-Dichloro-5-carboxylpyridine, 2,4-dichloropyridine-5-carboxylic acid, 2,4-Dichloro-5-carboxypyridine, AC-907/25004487, PubChem18521, AC1LG8IR, AC1Q3KZY, ACMC-209op3, KSC376S3P, CTK2H6937, MolPort-000-140-180, BH376, ACN-S004235, ACT02434, AC-963, ANW-36277, AR-1F8637, FC0401

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ILMIEWNDXAKVNI-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

• 2-(p-Methoxyphenyl)ethylamine
IUPAC Name: 2-(4-methoxyphenyl)ethanamine | CAS Registry Number: 55-81-2
Synonyms: Homoanisylamine, O-Methyltyramine, 4-Methoxyphenethylamine, Tyramine, O-methyl-, p-Methoxyphenethylamine, Benzeneethanamine, 4-methoxy-, 4-Methoxybenzeneethanamine, 2-(4-Methoxyphenyl)ethylamine, 4-Methoxy-2-phenethylamine, USAF EL-52, P-METHOXYPHENYLETHYLAMINE, PHENETHYLAMINE, p-METHOXY-, 4-Methoxyphenylethylamine, para-Methoxyphenylethylamine, 4-Methoxy-beta-phenylethylamine, WLN: Z2R DO1, 2-(4-Methoxyphenyl)ethanamine, 187305_ALDRICH, 65165_FLUKA, EINECS 200-245-5

Molecular Formula: C9H13NOMolecular Weight: 151.205620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LTPVSOCPYWDIFU-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

• 2-Pyrimidinamine, 4-(3-pyridinyl)-
IUPAC Name: 4-pyridin-3-ylpyrimidin-2-amine | CAS Registry Number: 66521-66-2
Synonyms: 4-(pyridin-3-yl)pyrimidin-2-amine, 4-(3-Pyridinyl)-2-aminopyrimidine, 2-Amino-4-(3-pyridinyl)-pyrimidine, 4-(3-Pyridinyl)-2-pyrimidine amine, CHEMBL1236798, 4-(3-Pyridinyl)-2-pyrimidinamine, 4-(3-pyridyl)pyrimidine-2-ylamine, AG-G-51048, 4-(PYRIDIN-3-YL)-2-PYRIMIDINE AMINE, 2xdk, SureCN210431, CTK5C4848, 4-(3-Pyridyl)-2-pyrimidinamine, MolPort-002-344-109, BB_SC-5653, AMX10176, 2-Amino-4-(3-pyridinyl)pyrimidine, 2-Pyrimidinamine,4-(3-pyridinyl)-, ANW-44611, SBB070175

Molecular Formula: C9H8N4Molecular Weight: 172.186620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LQHQKYWYKPLKCH-UHFFFAOYSA-N

• 4-(Bromomethyl)biphenyl
IUPAC Name: 1-(bromomethyl)-4-phenylbenzene | CAS Registry Number: 2567-29-5
Synonyms: Biphenyl, 4-(bromomethyl)-, NSC86143, CID257716, SL-00602

Molecular Formula: C13H11BrMolecular Weight: 247.130440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HZQLUIZFUXNFHK-UHFFFAOYSA-N

• 6-Bromomethyl-3,4-dihydro-2-methyl quinazolin-4-one
IUPAC Name: 6-(bromomethyl)-2-methyl-1H-quinazolin-4-one | CAS Registry Number: 112888-43-4
Synonyms: 6-(Bromomethyl)-2-methyl-4(3H)-quinazolinone, 6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one, 6-(bromomethyl)-2-methyl-1H-quinazolin-4-one, 6-(Bromomethyl)-2-methylquinazolin-4(3H)-one, 4(3H)-Quinazolinone,6-(bromomethyl)-2-methyl-, ACMC-20a7xj, AC1LCD1V, SureCN7257451, SureCN9245492, CTK4A8016, MolPort-005-932-673, ANW-61205, ZINC21983159, AKOS015914744, AKOS016003425, AG-D-32366, RL00530, AC-10986, AK-56488, Q070

Molecular Formula: C10H9BrN2OMolecular Weight: 253.095260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YAHALGNQKDVJLJ-UHFFFAOYSA-N

• 6-Methylpyridazin-3(2h)-One
IUPAC Name: 3-methyl-1H-pyridazin-6-one | CAS Registry Number: 13327-27-0
Synonyms: 6Me3OxoPyridaz, 6-methyl-pyridazone-3, 6-Methyl-3-pyridazinone, 3-Hydroxy-6-methylpyridazine, 6-Methyl-2H-pyridazin-3-one, 6-Methylpyridazin-3(2H)-one, 3(2H)-Pyridazinone, 6-methyl-, 6-Methyl-3(2H)-pyridazinone, NSC17180, TPC-002, AIDS009155, AIDS-009155, CID83346, NSC10841, EINECS 236-367-0, ZINC08603112, STT-00319529, AC-907/25005370

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QZWIXLPWMGHDDD-UHFFFAOYSA-N

• 2-Bromo-3-Fluorotoluene
IUPAC Name: 2-bromo-1-fluoro-3-methylbenzene | CAS Registry Number: 59907-13-0
Synonyms: 2-Bromo-3-fluorotoluene, EINECS 261-982-6, CID108856, TL8003808

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FYCXRRYRNRDSRM-UHFFFAOYSA-N

• 3-Amino-5-Chlorobenzotrifluoride
IUPAC Name: 3-chloro-5-(trifluoromethyl)aniline | CAS Registry Number: 69411-05-8
Synonyms: 3-Amino-5-chlorobenzotrifluoride, EINECS 273-989-1, 3-Chloro-5-(trifluoromethyl)aniline, JRD-1330, ZINC02583915, CID3017933, TL80074070

Molecular Formula: C7H5ClF3NMolecular Weight: 195.569510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OVENUGPMQDFGLE-UHFFFAOYSA-N

• 1,3,5-Cyclohexanetriol
IUPAC Name: cyclohexane-1,3,5-triol | CAS Registry Number: 2041-15-8
Synonyms: Phloroglucitol, cis-Cyclohexane-1,3,5-Triol, NSC25143, LTBB004677, CID230351, ZINC00388461, TL8001693, 1,3,5-Cyclohexanetriol, (1.alpha.,3.alpha.,5.alpha.)-, InChI=1/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H, 6099-90-7

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: FSDSKERRNURGGO-UHFFFAOYSA-N

• 2-Chloro-3'4'-dimethoxybenzil
IUPAC Name: 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione | CAS Registry Number: 56159-70-7
Synonyms: Benzil-based compound, 23, 2-Chloro-3',4'-dimethoxybenzil, 542229_ALDRICH, CHEBI:420884, MolPort-003-936-288, CID92036, Ethanedione, (2-chlorophenyl)(3,4-dimethoxyphenyl)-, 1-(2-Chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione, 1,2-Ethanedione, 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)-, 1-(2-Chloro-phenyl)-2-(3,4-dimethoxy-phenyl)-ethane-1,2-dione

Molecular Formula: C16H13ClO4Molecular Weight: 304.725020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ULVSCSFZMZRZHJ-UHFFFAOYSA-N

• 3-Amino-4-phenylbutyric acid hydrochloride
IUPAC Name: 4-amino-3-phenylbutanoic acid;hydrochloride | CAS Registry Number: 3060-41-1
Synonyms: 4-Amino-3-phenylbutyric acid HCl, 4-Amino-3-phenylbutanoic acid hydrochloride, 1078-21-3, 4-Amino-3-phenylbutyric acid hydrochloride, AGN-PC-00ACAN, SureCN3053795, ARONIS24314, Jsp000692, CTK7E2851, MolPort-000-707-094, BB_NC-0514, ACT03035, ANW-73679, SBB063537, AKOS005267244, AC-1883, AG-A-71479, AM84331, MCULE-9862731096, AK-32807

Molecular Formula: C10H14ClNO2Molecular Weight: 215.676660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: XSYRYMGYPBGOPS-UHFFFAOYSA-N

• 2,4-Dimethoxy-1-nitrobenzene
IUPAC Name: 2,4-dimethoxy-1-nitrobenzene | CAS Registry Number: 4920-84-7
Synonyms: 1,3-Dimethoxy-4-nitrobenzene, 2,4-dimethoxy-1-nitrobenzene, 512923_ALDRICH, NSC62004, MolPort-001-767-630, CID78633, EINECS 225-551-6, ZINC01690955, 4-NITRO-1,3-DIMETHOXYBENZENE, LT03107948

Molecular Formula: C8H9NO4Molecular Weight: 183.161360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XXWIYOBCHKCWNT-UHFFFAOYSA-N

• 4'-Ethyl-4-biphenylamine
IUPAC Name: 4-(4-ethylphenyl)aniline | CAS Registry Number: 5728-70-1
Synonyms: 4'-ETHYL-4-BIPHENYLAMINE, 4-(4-ethylphenyl)aniline, SureCN6486399, CTK8J3999, AKOS002679747, LS-44134, KB-191314, A831371

Molecular Formula: C14H15NMolecular Weight: 197.275600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NMCSKBJWADPKPK-UHFFFAOYSA-N

• 1-Methylxanthine
IUPAC Name: 1-methyl-3,7-dihydropurine-2,6-dione | CAS Registry Number: 6136-37-4
Synonyms: Purine analog, Methylxanthine, Xanthine, 1-methyl-, Spectrum_000233, SpecPlus_000793, Spectrum2_001195, Spectrum3_001714, Spectrum4_001810, Spectrum5_000519, CCRIS 5816, Oprea1_807160, BSPBio_003328, KBioGR_002423, KBioSS_000713, MLS001333143, MLS001333144, 69720_ALDRICH, DivK1c_006889, SPECTRUM2300329, SPBio_001269

Molecular Formula: C6H6N4O2Molecular Weight: 166.137440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MVOYJPOZRLFTCP-UHFFFAOYSA-N

• 4-Amino-3-methoxyazobene-3'-sulfonic acid sodium salt
IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)prop-2-enamide | CAS Registry Number: 6300-07-8
Synonyms: STOCK3S-55001, MolPort-000-810-938, STK083932, ZINC01185643, CID1348401, 3-(5-bromo-2-methoxy-phenyl)-N-(6-methyl-2-phenyl-benzotriazol-5-yl)prop-2-enamide, (2E)-3-(5-bromo-2-methoxyphenyl)-N-(6-methyl-2-phenyl-2H-benzotriazol-5-yl)prop-2-enamide

Molecular Formula: C23H19BrN4O2Molecular Weight: 463.326560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PWJJPLSGNXAVBZ-DHZHZOJOSA-N

• 2-Chlorophenyl benzyl ketone
IUPAC Name: 1-(2-chlorophenyl)-2-phenylethanone | CAS Registry Number: 72867-72-2
Synonyms: 2-CHLOROPHENYL BENZYL KETONE, AG-G-87343, SureCN1515732, O-chloro phenyl benzyl ketone, 2'-Chloro-2-phenylacetophenone, CTK5D6970, MolPort-005-932-934, ZINC02392933, 1-(2-Chlorophenyl)-2-phenylethanone, AKOS010258673, Ethanone,1-(2-chlorophenyl)-2-phenyl-, AC-11362, AK140454, KB-170117, Acetophenone,2'-chloro-2-phenyl- (6CI);1-(2-Chlorophenyl)-2-phenylethanone;Benzyl2-chlorophenyl ketone;2'-Chloro-2-phenylacetophenone;

Molecular Formula: C14H11ClOMolecular Weight: 230.689540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PYTHIEVNGSYRFO-UHFFFAOYSA-N

• 2-(2-Methoxyethoxy)benzenesulfonamide
IUPAC Name: 2-(2-methoxyethoxy)benzenesulfonamide | CAS Registry Number: 82031-33-2
Synonyms: PubChem10674, AGN-PC-00NQQR, SureCN9711181, KSC496K0J, CTK3J6504, MolPort-003-987-793, ZINC02507108, 2-(2-Methoxyethoxy)benzen sulfonamide, AKOS015852560, AB13888, AG-H-28882, 2-METHOXYETHOXYBENZENE SULFONAMIDE, AK114402, Benzenesulfonamide, 2-(2-methoxyethoxy)-, KB-162452, TL8006697, FT-0641846, O-(2-METHOXYETHOXY)BENZENESULFONAMIDE, 2-(2-METHOXY ETHOXY)BENZENESULFONAMIDE, A840237

Molecular Formula: C9H13NO4SMolecular Weight: 231.268820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UIYMPDRCTPYBLI-UHFFFAOYSA-N

• 2,3,6,7-Tetrahydro-1H,5H-benzo[i,j]quinolizine
Synonyms: Julolidine, J1001_ALDRICH, NSC82354, EINECS 207-535-0, NSC 82354, ZINC03860540, 1H,5H-Benzo[ij]quinolizine, 2,3,6,7-tetrahydro-, ST5406375, 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine, 2,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizine, 1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-, 2,3,6,7-Tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline, InChI=1/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H

Molecular Formula: C12H15NMolecular Weight: 173.254200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DZFWNZJKBJOGFQ-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

• 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

• 3-Methyl-4-nitroanisole
IUPAC Name: 4-methoxy-2-methyl-1-nitrobenzene | CAS Registry Number: 5367-32-8
Synonyms: 5-Methoxy-2-nitrotoluene, Anisole, 3-methyl-4-nitro-, 152234_ALDRICH, 36560_RIEDEL, 4-Methoxy-2-methyl-1-nitrobenzene, NSC37985, Benzene, 4-methoxy-2-methyl-1-nitro-, EINECS 226-356-9, ZINC01670353, ST5406579, InChI=1/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H

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

InChIKey: RTZOGYCMIMOVHU-UHFFFAOYSA-N

• 5-Bromo-2-chloropyridine
IUPAC Name: 5-bromo-2-chloropyridine | CAS Registry Number: 53939-30-3
Synonyms: 2-Chloro-5-bromopyridine, 3-Bromo-6-chloro-pyridine, TPC-PY040, ZERO/006251, 551902_ALDRICH, ZINC00404153, CID2734414, B197, TL806446

Molecular Formula: C5H3BrClNMolecular Weight: 192.441020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PEAOEIWYQVXZMB-UHFFFAOYSA-N

• 4-Aminophthalic acid
IUPAC Name: 4-aminophthalic acid | CAS Registry Number: 5434-21-9
Synonyms: 4-Aminophthalate, 4-AMINO PHTHALIC ACID, ghl.PD_Mitscher_leg0.1208, 524716_ALDRICH, 4-Amino-1,2-benzenedicarboxylic acid, AIDS020104, AIDS-020104, NSC15742, EINECS 226-596-4, 1,2-Benzenedicarboxylic acid, 4-amino-, NSC 15742

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OXSANYRLJHSQEP-UHFFFAOYSA-N

• 2-Phenyl-2-ethyl butyric acid
IUPAC Name: 2-ethyl-2-phenylbutanoic acid | CAS Registry Number: 5465-28-1
Synonyms: 2-Ethyl-2-phenylbutyric acid, NSC28953, CID79594, EINECS 226-767-3, SL-00603

Molecular Formula: C12H16O2Molecular Weight: 192.254240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PYXQBGGQMBEYLO-UHFFFAOYSA-N

• 2-Amino-4,6-dihydroxy-5-methylpyrimidine
IUPAC Name: 2-amino-4-hydroxy-5-methyl-1H-pyrimidin-6-one | CAS Registry Number: 55477-35-5
Synonyms: Oprea1_306579, NSC60209, CID81111, EINECS 229-597-8, EINECS 259-660-5, SBB005534, ZINC05123840, 2-Amino-5-methyl-1H,5H-pyrimidine-4,6-dione, 2-Amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-5-methyl-, 6627-65-2

Molecular Formula: C5H7N3O2Molecular Weight: 141.127980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OTFOORSARCXWKK-UHFFFAOYSA-N

• (1S)-(-)-3-Bromocamphor-8-sulfonic acid ammonium salt
IUPAC Name: azanium (3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl)methanesulfonate | CAS Registry Number: 55870-50-3
Synonyms: EINECS 238-616-9, EINECS 259-871-2, ST5411882, Ammonium D-5-bromo-6-oxo-9-bornanesulphonate, Ammonium L-5-bromo-6-oxo-9-bornanesulphonate, 14575-84-9

Molecular Formula: C10H18BrNO4SMolecular Weight: 328.223220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GFBVBBRNPGPROZ-UHFFFAOYSA-N

• 2,4-Diamino-6-mercaptopyrimidine
IUPAC Name: 2,6-diamino-1H-pyrimidine-4-thione | CAS Registry Number: 56-08-6
Synonyms: NSC12888, EINECS 279-657-2, ZINC01683154, 4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate, 81012-96-6

Molecular Formula: C4H6N4SMolecular Weight: 142.182240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: SOUUDGAWOJKDRN-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

• 4-Nitro-1-naphthol
IUPAC Name: 4-nitronaphthalen-1-ol | CAS Registry Number: 605-62-9
Synonyms: 1-Naphthalenol, 4-nitro-, NSC400336, CID343829, ST5408514

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AUIRNGLMBHIITH-UHFFFAOYSA-N

• 5-Methylisatin
IUPAC Name: 5-methyl-1H-indole-2,3-dione | CAS Registry Number: 608-05-9
Synonyms: Isatin, 5-methyl-, 5-Methyl-indole-2,3-dione, 5-Methyl-1H-indole-2,3-dione, 5-Methylindole-2,3-dione, Isatin-based compound, 30, 1H-Indole-2,3-dione, 5-methyl-, INDOLE-2,3-DIONE, 5-METHYL-, 5-Methylindole-2,3(1H)-dione, Isatin, 5-methyl- (6CI), M3002_SIGMA, 222429_ALDRICH, NSC 9398, EINECS 210-152-1, NSC9398, AIDS163136, AIDS-163136, BRN 0123738, ZINC01699967, LS-83034, 1H-Indole-2,3-dione, 5-methyl- (9CI)

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VAJCSPZKMVQIAP-UHFFFAOYSA-N

• 2-Aminotoluene-4-sulfonic acid
IUPAC Name: 3-amino-4-methylbenzenesulfonic acid | CAS Registry Number: 618-03-1
Synonyms: 3-Amino-p-toluenesulfonic acid, 2-Amino-4-toluenesulfonic acid, NSC7922, p-Toluenesulfonic acid, 3-amino-, 2-Aminotoluene-4-sulphonic acid, 3-Amino-4-methylbenzenesulfonic acid, CID69246, NSC 7922, EINECS 210-540-0, 1-Amino-2-methyl-5-benzenesulfonic acid, Benzenesulfonic acid, 3-amino-4-methyl-, 3-Amino-4-methyl-benzenesulfonic acid, BAS 00531520, ST5233538

Molecular Formula: C7H9NO3SMolecular Weight: 187.216260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DTNODBHGOLWROS-UHFFFAOYSA-N

• 2,4-Dinitrobenzaldehyde
IUPAC Name: 2,4-dinitrobenzaldehyde | CAS Registry Number: 528-75-6
Synonyms: Benzaldehyde, 2,4-dinitro-, Ambap7499, CCRIS 2684, D193607_ALDRICH, EINECS 208-440-7, NSC 36948, NSC36948, BRN 1878706, ZINC01669669, LS-25036, 3-07-00-00923 (Beilstein Handbook Reference), CS-002/03852018

Molecular Formula: C7H4N2O5Molecular Weight: 196.117060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZILXIZUBLXVYPI-UHFFFAOYSA-N

• 5-Nitro-2-thiophenecarboxylic acid
IUPAC Name: 5-nitrothiophene-2-carboxylic acid | CAS Registry Number: 6317-37-9
Synonyms: 5-Nitro-2-thenoic acid, N6898_SIGMA, NSC41707, 5-Nitrothiophene-2-carboxylic acid, CID80591, EINECS 228-654-4, RF 01631, TL8004391

Molecular Formula: C5H3NO4SMolecular Weight: 173.146620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UNEPVPOHGXLUIR-UHFFFAOYSA-N

• 2-Amino-5-chlorobenzoic acid
IUPAC Name: 2-amino-5-chlorobenzoic acid | CAS Registry Number: 635-21-2
Synonyms: 5-Chloroanthranilic acid, Anthranilic acid, 5-chloro-, Benzoic acid, 2-amino-5-chloro-, 2-AMINO-5-CHLOROBENZOIC ACID, 5-Chloro-2-aminobenzoic acid, A45475_ALDRICH, 378046_ALDRICH, 07360_FLUKA, AIDS020040, AIDS-020040, EINECS 211-230-8, NSC404157, SBB016392, Anthranilic acid, 5-chloro- (8CI), NSC 404157, AI3-15229, TL8004430, InChI=1/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IFXKXCLVKQVVDI-UHFFFAOYSA-N

• 2-Methoxy-5-nitrophenol
IUPAC Name: 2-methoxy-5-nitrophenol | CAS Registry Number: 636-93-1
Synonyms: 5-Nitroguaiacol, ghl.PD_Mitscher_leg0.1131, 329274_ALDRICH, 3-Hydroxy-4-methoxynitrobenzene, 65136_FLUKA, EINECS 211-269-0, ZINC00295034, ST5408114, TL8004458, InChI=1/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H

Molecular Formula: C7H7NO4Molecular Weight: 169.134780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KXKCTSZYNCDFFG-UHFFFAOYSA-N


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