G641-0025 Screening compound: 2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(5-chloro-2-methylphenyl)acetamide

G641-0025 Screening compound: 2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(5-chloro-2-methylphenyl)acetamide
G641-0025 Screening compound: 2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(5-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G641-0025
2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(5-chloro-2-methylphenyl)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

G641-0025

Molecular Formula

C26H23ClN4O3S2 (C26 H23 ClN4 O3 S2)

Compound Name

2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(5-chloro-2-methylphenyl)acetamide

IUPAC name

2-({11-acetyl-3-oxo-4-phenyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c1ccccc1)C(SCC(Nc1c(C)ccc(Cl)c1)=O)=N1)=O)c1s2)=O

InChI

InChI=1S/C26H23ClN4O3S2/c1-15-8-9-17(27)12-20(15)28-22(33)14-35-26-29-24-23(25(34)31(26)18-6-4-3-5-7-18)19-10-11-30(16(2)32)13-21(19)36-24/h3-9,12H,10-11,13-14H2,1-2H3,(H,28,33)

InChI Key

JTRUSNKTGWLNLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.60

Polar Surface Area

64.563

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G641-0025 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G641-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G641-0025?
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What is the minimum amount of G641-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G641-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G641-0025
  • 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 G641-0025 available by request