G857-0290 Screening compound: 2-({2-oxo-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

G857-0290 Screening compound: 2-({2-oxo-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
G857-0290 Screening compound: 2-({2-oxo-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0290
2-({2-oxo-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

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

G857-0290

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

2-({2-oxo-1-[(pyridin-4-yl)methyl]-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-({2-oxo-1-[(pyridin-4-yl)methyl]-1H2H5H6H7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CSC(C(CCC1)=C1N1Cc2ccncc2)=NC1=O)=O

InChI

InChI=1S/C24H26N4O2S/c1-16(2)18-6-8-19(9-7-18)26-22(29)15-31-23-20-4-3-5-21(20)28(24(30)27-23)14-17-10-12-25-13-11-17/h6-13,16H,3-5,14-15H2,1-2H3,(H,26,29)

InChI Key

CNIXQUBORJRDIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07652426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-3.71

Polar Surface Area

57.063

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G857-0290 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G857-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0290?
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What is the minimum amount of G857-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0290
  • 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 G857-0290 available by request