G656-0752 Screening compound: 7-benzyl-2-(2,5-dimethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

G656-0752 Screening compound: 7-benzyl-2-(2,5-dimethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
G656-0752 Screening compound: 7-benzyl-2-(2,5-dimethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G656-0752
7-benzyl-2-(2,5-dimethoxyphenyl)-9-(4-fluorophenyl)-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

G656-0752

Molecular Formula

C27H22FN5O4 (C27 H22 FN5 O4)

Compound Name

7-benzyl-2-(2,5-dimethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

7-benzyl-2-(25-dimethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

COc(cc1)cc(-c(nc2N3c(cc4)ccc4F)nc(C(N)=O)c2N(Cc2ccccc2)C3=O)c1OC

InChI

InChI=1S/C27H22FN5O4/c1-36-19-12-13-21(37-2)20(14-19)25-30-22(24(29)34)23-26(31-25)33(18-10-8-17(28)9-11-18)27(35)32(23)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,29,34)

InChI Key

STAOEBCFHPQXIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.66

Polar Surface Area

87.981

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G656-0752 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G656-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G656-0752?
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What is the minimum amount of G656-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G656-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G656-0752
  • 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 G656-0752 available by request