C760-0351 Screening compound: N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0351 Screening compound: N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0351 Screening compound: N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0351
N-[(4-methylphenyl)methyl]-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

C760-0351

Molecular Formula

C17H19NOS (C17 H19 NOS)

Compound Name

N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc1ccc(CNC(c2csc3c2CCCC3)=O)cc1

InChI

InChI=1S/C17H19NOS/c1-12-6-8-13(9-7-12)10-18-17(19)15-11-20-16-5-3-2-4-14(15)16/h6-9,11H,2-5,10H2,1H3,(H,18,19)

InChI Key

CMHWNLGVEOPFCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05610026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.32

Polar Surface Area

25.591

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C760-0351 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with C760-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0351?
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What is the minimum amount of C760-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0351
  • 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 C760-0351 available by request