G640-0131 Screening compound: 5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G640-0131 Screening compound: 5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G640-0131 Screening compound: 5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0131
5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

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

G640-0131

Molecular Formula

C24H27N3O4S2 (C24 H27 N3 O4 S2)

Compound Name

5-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

5-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

O=C(CN(c(cc(cc1)S(N2CCCC2)(=O)=O)c1SCC1)C1=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C24H27N3O4S2/c28-23-11-15-32-22-10-9-19(33(30,31)25-12-3-4-13-25)16-21(22)27(23)17-24(29)26-14-5-7-18-6-1-2-8-20(18)26/h1-2,6,8-10,16H,3-5,7,11-15,17H2

InChI Key

OQOJDRLSABZHDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.379

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.83

Polar Surface Area

63.084

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

G640-0131 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G640-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0131?
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What is the minimum amount of G640-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0131
  • 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 G640-0131 available by request