G641-0159 Screening compound: 2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide

G641-0159 Screening compound: 2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide
G641-0159 Screening compound: 2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G641-0159
2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)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

G641-0159

Molecular Formula

C26H23FN4O3S2 (C26 H23 FN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)Cc2c1c(C(N(c1c(C)cccc1)C(SCC(Nc(cc1)ccc1F)=O)=N1)=O)c1s2)=O

InChI

InChI=1S/C26H23FN4O3S2/c1-15-5-3-4-6-20(15)31-25(34)23-19-11-12-30(16(2)32)13-21(19)36-24(23)29-26(31)35-14-22(33)28-18-9-7-17(27)8-10-18/h3-10H,11-14H2,1-2H3,(H,28,33)

InChI Key

SGKOUVNVPWAEOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.62

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

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.19

Polar Surface Area

64.960

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G641-0159 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G641-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G641-0159?
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What is the minimum amount of G641-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G641-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G641-0159
  • 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 G641-0159 available by request