3480-0131 Screening compound: 2-[(2,3,5,6-tetrafluoropyridin-4-yl)sulfanyl]-1,3-benzothiazole

3480-0131 Screening compound: 2-[(2,3,5,6-tetrafluoropyridin-4-yl)sulfanyl]-1,3-benzothiazole
3480-0131 Screening compound: 2-[(2,3,5,6-tetrafluoropyridin-4-yl)sulfanyl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3480-0131
2-[(2,3,5,6-tetrafluoropyridin-4-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

3480-0131

Molecular Formula

C12H4F4N2S2 (C12 H4 F4 N2 S2)

Compound Name

2-[(2,3,5,6-tetrafluoropyridin-4-yl)sulfanyl]-1,3-benzothiazole

IUPAC name

2-[(2356-tetrafluoropyridin-4-yl)sulfanyl]-13-benzothiazole

SMILES

Fc(c(Sc1nc(cccc2)c2s1)c(c(F)n1)F)c1F

InChI

InChI=1S/C12H4F4N2S2/c13-7-9(8(14)11(16)18-10(7)15)20-12-17-5-3-1-2-4-6(5)19-12/h1-4H

InChI Key

FBRAMGXKCLFGKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00626533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-5.01

Polar Surface Area

22.968

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3480-0131 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3480-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3480-0131?
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What is the minimum amount of 3480-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3480-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3480-0131
  • 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 3480-0131 available by request