5830-0718 Screening compound: N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

5830-0718 Screening compound: N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
5830-0718 Screening compound: N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5830-0718
N-(4-carbamoylphenyl)-3-chloro-6-methoxy-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

5830-0718

Molecular Formula

C17H13ClN2O3S (C17 H13 ClN2 O3 S)

Compound Name

N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

IUPAC name

N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

SMILES

COc(cc1)cc2c1c(Cl)c(C(Nc(cc1)ccc1C(N)=O)=O)s2

InChI

InChI=1S/C17H13ClN2O3S/c1-23-11-6-7-12-13(8-11)24-15(14(12)18)17(22)20-10-4-2-9(3-5-10)16(19)21/h2-8H,1H3,(H2,19,21)(H,20,22)

InChI Key

HOPNYIJVUVHJSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03168360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-4.20

Polar Surface Area

65.679

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

5830-0718 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5830-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5830-0718?
Check Price and Availability of 5830-0718, 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 5830-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5830-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5830-0718
  • 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 5830-0718 available by request