G656-0729 Screening compound: ethyl 2-[6-carbamoyl-2-(2,4-difluorophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

G656-0729 Screening compound: ethyl 2-[6-carbamoyl-2-(2,4-difluorophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
G656-0729 Screening compound: ethyl 2-[6-carbamoyl-2-(2,4-difluorophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G656-0729
ethyl 2-[6-carbamoyl-2-(2,4-difluorophenyl)-9-(4-ethoxyphenyl)-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

G656-0729

Molecular Formula

C24H21F2N5O5 (C24 H21 F2 N5 O5)

Compound Name

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

IUPAC name

ethyl 2-[6-carbamoyl-2-(24-difluorophenyl)-9-(4-ethoxyphenyl)-8-oxo-89-dihydro-7H-purin-7-yl]acetate

SMILES

CCOC(CN(c1c(C(N)=O)nc(-c(ccc(F)c2)c2F)nc1N1c(cc2)ccc2OCC)C1=O)=O

InChI

InChI=1S/C24H21F2N5O5/c1-3-35-15-8-6-14(7-9-15)31-23-20(30(24(31)34)12-18(32)36-4-2)19(21(27)33)28-22(29-23)16-10-5-13(25)11-17(16)26/h5-11H,3-4,12H2,1-2H3,(H2,27,33)

InChI Key

OJJVMBNXEUXFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.84

Polar Surface Area

100.360

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G656-0729 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 G656-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G656-0729?
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What is the minimum amount of G656-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G656-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G656-0729
  • 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 G656-0729 available by request