G008-1555 Screening compound: 2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-1555 Screening compound: 2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-1555 Screening compound: 2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1555
2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-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

G008-1555

Molecular Formula

C19H22N2O3S2 (C19 H22 N2 O3 S2)

Compound Name

2-methyl-4-oxo-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

2-methyl-4-oxo-N-(246-trimethylphenyl)-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(C1)Sc(ccc(S(Nc2c(C)cc(C)cc2C)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C19H22N2O3S2/c1-11-7-12(2)19(13(3)8-11)21-26(23,24)15-5-6-17-16(10-15)20-18(22)9-14(4)25-17/h5-8,10,14,21H,9H2,1-4H3,(H,20,22)/t14-/m1/s1

InChI Key

GGMVCOGUKLRLQO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14974792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.72

Polar Surface Area

64.644

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

G008-1555 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1555?
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What is the minimum amount of G008-1555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1555
  • 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 G008-1555 available by request