8020-2271 Screening compound: 3,6-dichloro-1-benzothiophene-2-carboxamide

8020-2271 Screening compound: 3,6-dichloro-1-benzothiophene-2-carboxamide
8020-2271 Screening compound: 3,6-dichloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2271
3,6-dichloro-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

8020-2271

Molecular Formula

C9H5Cl2NOS (C9 H5 Cl2 NOS)

Compound Name

3,6-dichloro-1-benzothiophene-2-carboxamide

IUPAC name

36-dichloro-1-benzothiophene-2-carboxamide

SMILES

NC(c(sc1c2ccc(Cl)c1)c2Cl)=O

InChI

InChI=1S/C9H5Cl2NOS/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H2,12,13)

InChI Key

XAZABYGIZOUFKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11643423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.12

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.59

Polar Surface Area

35.044

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-2271 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2271?
Check Price and Availability of 8020-2271, 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 8020-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2271
  • 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 8020-2271 available by request