G641-0249 Screening compound: 2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylacetamide

G641-0249 Screening compound: 2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylacetamide
G641-0249 Screening compound: 2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G641-0249
2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-phenethylacetamide

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

G641-0249

Molecular Formula

C28H28N4O3S2 (C28 H28 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)Cc2c1c(C(N(Cc1ccccc1)C(SCC(NCCc1ccccc1)=O)=N1)=O)c1s2)=O

InChI

InChI=1S/C28H28N4O3S2/c1-19(33)31-15-13-22-23(17-31)37-26-25(22)27(35)32(16-21-10-6-3-7-11-21)28(30-26)36-18-24(34)29-14-12-20-8-4-2-5-9-20/h2-11H,12-18H2,1H3,(H,29,34)

InChI Key

ZNJFKQOQCWPKLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-3.87

Polar Surface Area

67.036

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G641-0249 in Drug Discovery

Included in Screening Libraries

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

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 G641-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G641-0249?
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What is the minimum amount of G641-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G641-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G641-0249
  • 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 G641-0249 available by request