G008-1672 Screening compound: 3-methyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-1672 Screening compound: 3-methyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-1672 Screening compound: 3-methyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1672
3-methyl-4-oxo-N-[(pyridin-2-yl)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

G008-1672

Molecular Formula

C16H17N3O3S2 (C16 H17 N3 O3 S2)

Compound Name

3-methyl-4-oxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

3-methyl-4-oxo-N-[(pyridin-2-yl)methyl]-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(CSc(ccc(S(NCc1ncccc1)(=O)=O)c1)c1N1)C1=O

InChI

InChI=1S/C16H17N3O3S2/c1-11-10-23-15-6-5-13(8-14(15)19-16(11)20)24(21,22)18-9-12-4-2-3-7-17-12/h2-8,11,18H,9-10H2,1H3,(H,19,20)/t11-/m1/s1

InChI Key

HZLDQZVKMKDJDB-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14974882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-2.80

Polar Surface Area

76.748

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G008-1672 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
  • Proteases
  • GPCR
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1672?
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What is the minimum amount of G008-1672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1672
  • 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 G008-1672 available by request