G008-3367 Screening compound: N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-3367 Screening compound: N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-3367 Screening compound: N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3367
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-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

G008-3367

Molecular Formula

C17H20N2O4S3 (C17 H20 N2 O4 S3)

Compound Name

N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-3-methyl-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(CSc(ccc(S(NCCSCc1ccco1)(=O)=O)c1)c1N1)C1=O

InChI

InChI=1S/C17H20N2O4S3/c1-12-10-25-16-5-4-14(9-15(16)19-17(12)20)26(21,22)18-6-8-24-11-13-3-2-7-23-13/h2-5,7,9,12,18H,6,8,10-11H2,1H3,(H,19,20)/t12-/m1/s1

InChI Key

DJUKZCNDLCNGGN-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14975746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.62

Polar Surface Area

74.796

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

G008-3367 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • 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 G008-3367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3367?
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What is the minimum amount of G008-3367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3367
  • 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 G008-3367 available by request