G641-0274 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~-(3-chlorophenyl)acetamide

G641-0274 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~-(3-chlorophenyl)acetamide
G641-0274 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~-(3-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G641-0274
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~-(3-chlorophenyl)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

G641-0274

Molecular Formula

C26H23ClN4O3S2 (C26 H23 ClN4 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~-(3-chlorophenyl)acetamide

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-(3-chlorophenyl)acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(Cc1ccccc1)C(SCC(Nc1cccc(Cl)c1)=O)=N1)=O)c1s2)=O

InChI

InChI=1S/C26H23ClN4O3S2/c1-16(32)30-11-10-20-21(14-30)36-24-23(20)25(34)31(13-17-6-3-2-4-7-17)26(29-24)35-15-22(33)28-19-9-5-8-18(27)12-19/h2-9,12H,10-11,13-15H2,1H3,(H,28,33)

InChI Key

NGNKLHVCHPSANI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148428

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-4.95

Polar Surface Area

65.872

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with G641-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G641-0274?
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What is the minimum amount of G641-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G641-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G641-0274
  • 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 G641-0274 available by request