G640-0158 Screening compound: N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide

G640-0158 Screening compound: N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide
G640-0158 Screening compound: N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0158
N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide

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

G640-0158

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide

IUPAC name

N-methyl-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-2345-tetrahydro-15-benzothiazepin-5-yl]-N-phenylacetamide

SMILES

CN(C(CN(c(cc(cc1)S(N2CCCC2)(=O)=O)c1SCC1)C1=O)=O)c1ccccc1

InChI

InChI=1S/C22H25N3O4S2/c1-23(17-7-3-2-4-8-17)22(27)16-25-19-15-18(31(28,29)24-12-5-6-13-24)9-10-20(19)30-14-11-21(25)26/h2-4,7-10,15H,5-6,11-14,16H2,1H3

InChI Key

IQLQUQKJCZTUQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15024949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.83

Polar Surface Area

63.140

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G640-0158 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G640-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0158?
Check Price and Availability of G640-0158, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G640-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0158
  • 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 G640-0158 available by request