G656-0757 Screening compound: 7-benzyl-2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

G656-0757 Screening compound: 7-benzyl-2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
G656-0757 Screening compound: 7-benzyl-2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G656-0757
7-benzyl-2-(3-chlorophenyl)-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

G656-0757

Molecular Formula

C25H17ClFN5O2 (C25 H17 ClFN5 O2)

Compound Name

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

IUPAC name

7-benzyl-2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

NC(c(nc(-c1cccc(Cl)c1)nc1N2c(cc3)ccc3F)c1N(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C25H17ClFN5O2/c26-17-8-4-7-16(13-17)23-29-20(22(28)33)21-24(30-23)32(19-11-9-18(27)10-12-19)25(34)31(21)14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,28,33)

InChI Key

NFBIBWZYQAMKNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.89

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

5.848

Distribution Coefficient, logD

5.848

Water Solubility, LogSw

-5.98

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

4.00

G656-0757 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 G656-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G656-0757?
Check Price and Availability of G656-0757, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G656-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G656-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G656-0757
  • 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 G656-0757 available by request