C760-0684 Screening compound: 6-methyl-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0684 Screening compound: 6-methyl-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0684 Screening compound: 6-methyl-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0684
6-methyl-N-(4-methylcyclohexyl)-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

C760-0684

Molecular Formula

C17H25NOS (C17 H25 NOS)

Compound Name

6-methyl-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

6-methyl-N-(4-methylcyclohexyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)CCC1NC(c1csc2c1CCC(C)C2)=O

InChI

InChI=1S/C17H25NOS/c1-11-3-6-13(7-4-11)18-17(19)15-10-20-16-9-12(2)5-8-14(15)16/h10-13H,3-9H2,1-2H3,(H,18,19)/t11?,12-,13?/m1/s1

InChI Key

KNBCSXATXOQRMW-OTTFEQOBSA-N

MDL Number (MFCD)

MFCD14791969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.46

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

5.579

Distribution Coefficient, logD

5.579

Water Solubility, LogSw

-5.34

Polar Surface Area

25.316

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.60

C760-0684 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C760-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0684?
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What is the minimum amount of C760-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0684
  • 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 C760-0684 available by request