G640-0068 Screening compound: 2-[7-(diethylsulfamoyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-methyl-N-phenylacetamide

G640-0068 Screening compound: 2-[7-(diethylsulfamoyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-methyl-N-phenylacetamide
G640-0068 Screening compound: 2-[7-(diethylsulfamoyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G640-0068
2-[7-(diethylsulfamoyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]-N-methyl-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

G640-0068

Molecular Formula

C22H27N3O4S2 (C22 H27 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)cc(N2CC(N(C)c3ccccc3)=O)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C22H27N3O4S2/c1-4-24(5-2)31(28,29)18-11-12-20-19(15-18)25(21(26)13-14-30-20)16-22(27)23(3)17-9-7-6-8-10-17/h6-12,15H,4-5,13-14,16H2,1-3H3

InChI Key

JLKBMPMXKFYURK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-3.19

Polar Surface Area

62.160

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G640-0068 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G640-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G640-0068?
Check Price and Availability of G640-0068, 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 G640-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G640-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G640-0068
  • 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 G640-0068 available by request