G008-2785 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-2785 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-2785 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2785
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

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

G008-2785

Molecular Formula

C18H20N2O3S3 (C18 H20 N2 O3 S3)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CSc1ccc(CCNS(c(cc2)cc(N3)c2SCCC3=O)(=O)=O)cc1

InChI

InChI=1S/C18H20N2O3S3/c1-24-14-4-2-13(3-5-14)8-10-19-26(22,23)15-6-7-17-16(12-15)20-18(21)9-11-25-17/h2-7,12,19H,8-11H2,1H3,(H,20,21)

InChI Key

RCUFPVWLZOXRRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.63

Polar Surface Area

66.990

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G008-2785 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-2785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2785?
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What is the minimum amount of G008-2785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2785
  • 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 G008-2785 available by request