C760-0428 Screening compound: N-(2-bromo-4,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0428 Screening compound: N-(2-bromo-4,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0428 Screening compound: N-(2-bromo-4,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0428
N-(2-bromo-4,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

C760-0428

Molecular Formula

C15H12BrF2NOS (C15 H12 BrF2 NOS)

Compound Name

N-(2-bromo-4,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(2-bromo-46-difluorophenyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

O=C(c1csc2c1CCCC2)Nc(c(F)cc(F)c1)c1Br

InChI

InChI=1S/C15H12BrF2NOS/c16-11-5-8(17)6-12(18)14(11)19-15(20)10-7-21-13-4-2-1-3-9(10)13/h5-7H,1-4H2,(H,19,20)

InChI Key

CYPCLDQAEAUPLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06004577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.21

Polar Surface Area

22.873

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C760-0428 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C760-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0428?
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What is the minimum amount of C760-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0428
  • 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 C760-0428 available by request