8020-2272 Screening compound: 3-chloro-7-nitro-1-benzothiophene-2-carboxamide

8020-2272 Screening compound: 3-chloro-7-nitro-1-benzothiophene-2-carboxamide
8020-2272 Screening compound: 3-chloro-7-nitro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2272
3-chloro-7-nitro-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

8020-2272

Molecular Formula

C9H5ClN2O3S (C9 H5 ClN2 O3 S)

Compound Name

3-chloro-7-nitro-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-7-nitro-1-benzothiophene-2-carboxamide

SMILES

NC(c(sc1c2cccc1[N+]([O-])=O)c2Cl)=O

InChI

InChI=1S/C9H5ClN2O3S/c10-6-4-2-1-3-5(12(14)15)7(4)16-8(6)9(11)13/h1-3H,(H2,11,13)

InChI Key

ANKUKOAZGLWBID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

2.513

Water Solubility, LogSw

-3.09

Polar Surface Area

68.125

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-2272 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-2272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2272?
Check Price and Availability of 8020-2272, 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 8020-2272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2272
  • 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 8020-2272 available by request