G640-1158 Screening compound: 2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-(propan-2-yl)acetamide

G640-1158 Screening compound: 2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-(propan-2-yl)acetamide
G640-1158 Screening compound: 2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-1158
2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-(propan-2-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

G640-1158

Molecular Formula

C21H31N3O4S2 (C21 H31 N3 O4 S2)

Compound Name

2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}-N-(propan-2-yl)acetamide

IUPAC name

2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(c(cc(cc1)S(N2CCC(C)CC2)(=O)=O)c1SC(C)C1)C1=O)=O

InChI

InChI=1S/C21H31N3O4S2/c1-14(2)22-20(25)13-24-18-12-17(5-6-19(18)29-16(4)11-21(24)26)30(27,28)23-9-7-15(3)8-10-23/h5-6,12,14-16H,7-11,13H2,1-4H3,(H,22,25)/t16-/m1/s1

InChI Key

LTRHBFJOJCDROZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27148295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.67

Polar Surface Area

71.378

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

G640-1158 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G640-1158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-1158?
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What is the minimum amount of G640-1158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-1158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-1158
  • 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 G640-1158 available by request