G008-1574 Screening compound: N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-1574 Screening compound: N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-1574 Screening compound: N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1574
N-[(4-fluorophenyl)methyl]-2-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

G008-1574

Molecular Formula

C17H17FN2O3S2 (C17 H17 FN2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)Sc(ccc(S(NCc(cc2)ccc2F)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C17H17FN2O3S2/c1-11-8-17(21)20-15-9-14(6-7-16(15)24-11)25(22,23)19-10-12-2-4-13(18)5-3-12/h2-7,9,11,19H,8,10H2,1H3,(H,20,21)/t11-/m1/s1

InChI Key

MIKXXHYIDGBFDY-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14974809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.42

Polar Surface Area

67.149

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

G008-1574 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1574?
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What is the minimum amount of G008-1574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1574
  • 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 G008-1574 available by request