G656-1041 Screening compound: ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

G656-1041 Screening compound: ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
G656-1041 Screening compound: ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G656-1041
ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

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

G656-1041

Molecular Formula

C23H20FN5O5 (C23 H20 FN5 O5)

Compound Name

ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

IUPAC name

ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-(4-methoxyphenyl)-8-oxo-89-dihydro-7H-purin-7-yl]acetate

SMILES

CCOC(CN(c1c(C(N)=O)nc(-c(cc2)ccc2OC)nc1N1c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C23H20FN5O5/c1-3-34-17(30)12-28-19-18(20(25)31)26-21(13-4-10-16(33-2)11-5-13)27-22(19)29(23(28)32)15-8-6-14(24)7-9-15/h4-11H,3,12H2,1-2H3,(H2,25,31)

InChI Key

IUJSVJWRWCBHOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.66

Polar Surface Area

100.780

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G656-1041 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with G656-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G656-1041?
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What is the minimum amount of G656-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G656-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G656-1041
  • 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 G656-1041 available by request