G640-0819 Screening compound: 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-methyl-7-(morpholine-4-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G640-0819 Screening compound: 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-methyl-7-(morpholine-4-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G640-0819 Screening compound: 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-methyl-7-(morpholine-4-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0819
5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-methyl-7-(morpholine-4-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

G640-0819

Molecular Formula

C24H27N3O5S2 (C24 H27 N3 O5 S2)

Compound Name

5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-methyl-7-(morpholine-4-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

5-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-3-methyl-7-(morpholine-4-sulfonyl)-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(CSc(ccc(S(N1CCOCC1)(=O)=O)c1)c1N1CC(N(CC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C24H27N3O5S2/c1-17-16-33-22-7-6-19(34(30,31)25-10-12-32-13-11-25)14-21(22)27(24(17)29)15-23(28)26-9-8-18-4-2-3-5-20(18)26/h2-7,14,17H,8-13,15-16H2,1H3/t17-/m1/s1

InChI Key

CLNGZFZHBUUPNS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27148220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.15

Polar Surface Area

70.715

Acid Dissociation Constant (pKa)

21.87

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

G640-0819 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 G640-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0819?
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What is the minimum amount of G640-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0819
  • 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 G640-0819 available by request