8012-4177 Screening compound: 2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole

8012-4177 Screening compound: 2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole
8012-4177 Screening compound: 2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4177
2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole

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

8012-4177

Molecular Formula

C12H7N3O2S2 (C12 H7 N3 O2 S2)

Compound Name

2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole

IUPAC name

2-[(5-nitropyridin-2-yl)sulfanyl]-13-benzothiazole

SMILES

[O-][N+](c(cc1)cnc1Sc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C12H7N3O2S2/c16-15(17)8-5-6-11(13-7-8)19-12-14-9-3-1-2-4-10(9)18-12/h1-7H

InChI Key

PBCTUBOKJZTANL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01207050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.41

Polar Surface Area

50.928

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8012-4177 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 8012-4177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4177?
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What is the minimum amount of 8012-4177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4177
  • 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 8012-4177 available by request