G008-1718 Screening compound: N-[(4-methoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-1718 Screening compound: N-[(4-methoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-1718 Screening compound: N-[(4-methoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1718
N-[(4-methoxyphenyl)methyl]-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

G008-1718

Molecular Formula

C18H20N2O4S2 (C18 H20 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CSc(ccc(S(NCc(cc1)ccc1OC)(=O)=O)c1)c1N1)C1=O

InChI

InChI=1S/C18H20N2O4S2/c1-12-11-25-17-8-7-15(9-16(17)20-18(12)21)26(22,23)19-10-13-3-5-14(24-2)6-4-13/h3-9,12,19H,10-11H2,1-2H3,(H,20,21)/t12-/m1/s1

InChI Key

MHWWVNWTRLUXIZ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14974914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.56

Polar Surface Area

74.749

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G008-1718 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G008-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1718?
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What is the minimum amount of G008-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1718
  • 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 G008-1718 available by request