G857-0427 Screening compound: 4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

G857-0427 Screening compound: 4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
G857-0427 Screening compound: 4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0427
4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

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

G857-0427

Molecular Formula

C23H22N4O2S (C23 H22 N4 O2 S)

Compound Name

4-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

4-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1-[(pyridin-4-yl)methyl]-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

O=C(CSC(C(CCC1)=C1N1Cc2ccncc2)=NC1=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C23H22N4O2S/c28-21(26-13-10-17-4-1-2-6-19(17)26)15-30-22-18-5-3-7-20(18)27(23(29)25-22)14-16-8-11-24-12-9-16/h1-2,4,6,8-9,11-12H,3,5,7,10,13-15H2

InChI Key

KSVAWGZKKCDPPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07805147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-2.47

Polar Surface Area

49.337

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G857-0427 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G857-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0427?
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What is the minimum amount of G857-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0427
  • 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 G857-0427 available by request