8001-8244 Screening compound: 3-bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine

8001-8244 Screening compound: 3-bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine
8001-8244 Screening compound: 3-bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8244
3-bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine

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

8001-8244

Molecular Formula

C8H4BrF3N2S (C8 H4 BrF3 N2 S)

Compound Name

3-bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine

IUPAC name

3-bromo-4-methyl-6-(trifluoromethyl)-[12]thiazolo[54-b]pyridine

SMILES

Cc1c(c(Br)ns2)c2nc(C(F)(F)F)c1

InChI

InChI=1S/C8H4BrF3N2S/c1-3-2-4(8(10,11)12)13-7-5(3)6(9)14-15-7/h2H,1H3

InChI Key

IGQITGHMHKUCAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.1

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.13

Polar Surface Area

20.552

Acid Dissociation Constant (pKa)

29.08

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8001-8244 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8001-8244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8244?
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What is the minimum amount of 8001-8244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8244
  • 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 8001-8244 available by request