G640-0871 Screening compound: N-(2,3-dimethylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

G640-0871 Screening compound: N-(2,3-dimethylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
G640-0871 Screening compound: N-(2,3-dimethylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0871
N-(2,3-dimethylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]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

G640-0871

Molecular Formula

C24H29N3O5S2 (C24 H29 N3 O5 S2)

Compound Name

N-(2,3-dimethylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

IUPAC name

N-(23-dimethylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

CC(CSc(ccc(S(N1CCOCC1)(=O)=O)c1)c1N1CC(Nc2c(C)c(C)ccc2)=O)C1=O

InChI

InChI=1S/C24H29N3O5S2/c1-16-5-4-6-20(18(16)3)25-23(28)14-27-21-13-19(34(30,31)26-9-11-32-12-10-26)7-8-22(21)33-15-17(2)24(27)29/h4-8,13,17H,9-12,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1

InChI Key

HLGHYKARXKPGCA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27148244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.86

Polar Surface Area

77.743

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

G640-0871 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G640-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0871?
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What is the minimum amount of G640-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0871
  • 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 G640-0871 available by request