C760-0931 Screening compound: N-[(4-methylphenyl)methyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

C760-0931 Screening compound: N-[(4-methylphenyl)methyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
C760-0931 Screening compound: N-[(4-methylphenyl)methyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0931
N-[(4-methylphenyl)methyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

C760-0931

Molecular Formula

C18H21NOS (C18 H21 NOS)

Compound Name

N-[(4-methylphenyl)methyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

Cc1ccc(CNC(c2csc3c2CCCCC3)=O)cc1

InChI

InChI=1S/C18H21NOS/c1-13-7-9-14(10-8-13)11-19-18(20)16-12-21-17-6-4-2-3-5-15(16)17/h7-10,12H,2-6,11H2,1H3,(H,19,20)

InChI Key

JRAGHCOZLWFARI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.44

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

4.912

Distribution Coefficient, logD

4.912

Water Solubility, LogSw

-4.54

Polar Surface Area

25.922

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C760-0931 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with C760-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0931?
Check Price and Availability of C760-0931, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C760-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0931
  • 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 C760-0931 available by request