G008-2823 Screening compound: 4-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-2823 Screening compound: 4-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-2823 Screening compound: 4-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2823
4-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-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

G008-2823

Molecular Formula

C19H22N2O4S2 (C19 H22 N2 O4 S2)

Compound Name

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

IUPAC name

4-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(C)Oc1ccc(CNS(c(cc2)cc(N3)c2SCCC3=O)(=O)=O)cc1

InChI

InChI=1S/C19H22N2O4S2/c1-13(2)25-15-5-3-14(4-6-15)12-20-27(23,24)16-7-8-18-17(11-16)21-19(22)9-10-26-18/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)

InChI Key

GCSBHRPYRZFENL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.59

Polar Surface Area

73.951

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G008-2823 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G008-2823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2823?
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What is the minimum amount of G008-2823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2823
  • 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 G008-2823 available by request