C760-0406 Screening compound: N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0406 Screening compound: N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0406 Screening compound: N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0406
N-(5-chloro-2-methoxyphenyl)-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

C760-0406

Molecular Formula

C16H16ClNO2S (C16 H16 ClNO2 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(c1csc2c1CCCC2)=O

InChI

InChI=1S/C16H16ClNO2S/c1-20-14-7-6-10(17)8-13(14)18-16(19)12-9-21-15-5-3-2-4-11(12)15/h6-9H,2-5H2,1H3,(H,18,19)

InChI Key

QVELQKWJJSPMJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.62

Polar Surface Area

31.201

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C760-0406 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C760-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0406?
Check Price and Availability of C760-0406, 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 C760-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0406
  • 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 C760-0406 available by request