G640-1114 Screening compound: N-(2-methoxyphenyl)-2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}acetamide

G640-1114 Screening compound: N-(2-methoxyphenyl)-2-{2-methyl-7-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl}acetamide
G640-1114 Screening compound: N-(2-methoxyphenyl)-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 G640-1114
N-(2-methoxyphenyl)-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

G640-1114

Molecular Formula

C25H31N3O5S2 (C25 H31 N3 O5 S2)

Compound Name

N-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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(Nc(cccc3)c3OC)=O)c1SC(C)CC2=O)(=O)=O

InChI

InChI=1S/C25H31N3O5S2/c1-17-10-12-27(13-11-17)35(31,32)19-8-9-23-21(15-19)28(25(30)14-18(2)34-23)16-24(29)26-20-6-4-5-7-22(20)33-3/h4-9,15,17-18H,10-14,16H2,1-3H3,(H,26,29)/t18-/m1/s1

InChI Key

LXMRTVPJSSSDRK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27148283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.23

Polar Surface Area

77.743

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

G640-1114 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 G640-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-1114?
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What is the minimum amount of G640-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-1114
  • 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 G640-1114 available by request