G640-1141 Screening compound: N-(2,3-dimethylphenyl)-2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}acetamide

G640-1141 Screening compound: N-(2,3-dimethylphenyl)-2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}acetamide
G640-1141 Screening compound: N-(2,3-dimethylphenyl)-2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-1141
N-(2,3-dimethylphenyl)-2-{2-methyl-7-[(4-methylpiperidin-1-yl)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

G640-1141

Molecular Formula

C26H33N3O4S2 (C26 H33 N3 O4 S2)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(Nc3c(C)c(C)ccc3)=O)c1SC(C)CC2=O)(=O)=O

InChI

InChI=1S/C26H33N3O4S2/c1-17-10-12-28(13-11-17)35(32,33)21-8-9-24-23(15-21)29(26(31)14-19(3)34-24)16-25(30)27-22-7-5-6-18(2)20(22)4/h5-9,15,17,19H,10-14,16H2,1-4H3,(H,27,30)/t19-/m1/s1

InChI Key

KEMLTYUTZGXNKZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27148290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.7

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

4.994

Distribution Coefficient, logD

4.994

Water Solubility, LogSw

-4.55

Polar Surface Area

70.112

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

G640-1141 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G640-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-1141?
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What is the minimum amount of G640-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-1141
  • 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 G640-1141 available by request