1710-0020 Screening compound: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

1710-0020 Screening compound: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
1710-0020 Screening compound: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1710-0020
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-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

1710-0020

Molecular Formula

C19H18ClNO3S (C19 H18 ClNO3 S)

Compound Name

3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[2-(34-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

SMILES

COc(ccc(CCNC(c(sc1c2cccc1)c2Cl)=O)c1)c1OC

InChI

InChI=1S/C19H18ClNO3S/c1-23-14-8-7-12(11-15(14)24-2)9-10-21-19(22)18-17(20)13-5-3-4-6-16(13)25-18/h3-8,11H,9-10H2,1-2H3,(H,21,22)

InChI Key

CCSPNWYGONQOHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00111051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.50

Polar Surface Area

40.501

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

1710-0020 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1710-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1710-0020?
Check Price and Availability of 1710-0020, 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 1710-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1710-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1710-0020
  • 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 1710-0020 available by request