G656-1052 Screening compound: 7-benzyl-2-(3-chlorophenyl)-9-(3,4-dimethylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

G656-1052 Screening compound: 7-benzyl-2-(3-chlorophenyl)-9-(3,4-dimethylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
G656-1052 Screening compound: 7-benzyl-2-(3-chlorophenyl)-9-(3,4-dimethylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G656-1052
7-benzyl-2-(3-chlorophenyl)-9-(3,4-dimethylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G656-1052

Molecular Formula

C27H22ClN5O2 (C27 H22 ClN5 O2)

Compound Name

7-benzyl-2-(3-chlorophenyl)-9-(3,4-dimethylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

7-benzyl-2-(3-chlorophenyl)-9-(34-dimethylphenyl)-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

Cc(cc1)c(C)cc1N(c1nc(-c2cccc(Cl)c2)nc(C(N)=O)c1N1Cc2ccccc2)C1=O

InChI

InChI=1S/C27H22ClN5O2/c1-16-11-12-21(13-17(16)2)33-26-23(32(27(33)35)15-18-7-4-3-5-8-18)22(24(29)34)30-25(31-26)19-9-6-10-20(28)14-19/h3-14H,15H2,1-2H3,(H2,29,34)

InChI Key

IGGMBDNQHGPAOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.952

Distribution Coefficient, logD

6.952

Water Solubility, LogSw

-6.17

Polar Surface Area

72.806

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G656-1052 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G656-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G656-1052?
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What is the minimum amount of G656-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G656-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G656-1052
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G656-1052 available by request