8001-2873 Screening compound: 2,2,2-trifluoroethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate

8001-2873 Screening compound: 2,2,2-trifluoroethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate
8001-2873 Screening compound: 2,2,2-trifluoroethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-2873
2,2,2-trifluoroethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate

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

8001-2873

Molecular Formula

C8H8F3NO2S3 (C8 H8 F3 NO2 S3)

Compound Name

2,2,2-trifluoroethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate

IUPAC name

222-trifluoroethyl 35-bis(methylsulfanyl)-12-thiazole-4-carboxylate

SMILES

CSc1nsc(SC)c1C(OCC(F)(F)F)=O

InChI

InChI=1S/C8H8F3NO2S3/c1-15-5-4(7(16-2)17-12-5)6(13)14-3-8(9,10)11/h3H2,1-2H3

InChI Key

ZZPYXHXXYFHVSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00472925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.91

Polar Surface Area

31.991

Acid Dissociation Constant (pKa)

29.93

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8001-2873 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8001-2873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-2873?
Check Price and Availability of 8001-2873, 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 8001-2873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-2873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-2873
  • 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 8001-2873 available by request