8008-7003 Screening compound: N-[5-bromo-3-(methylsulfanyl)-1,2-thiazol-4-yl]-2,2,2-trifluoroacetamide

8008-7003 Screening compound: N-[5-bromo-3-(methylsulfanyl)-1,2-thiazol-4-yl]-2,2,2-trifluoroacetamide
8008-7003 Screening compound: N-[5-bromo-3-(methylsulfanyl)-1,2-thiazol-4-yl]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7003
N-[5-bromo-3-(methylsulfanyl)-1,2-thiazol-4-yl]-2,2,2-trifluoroacetamide

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

8008-7003

Molecular Formula

C6H4BrF3N2OS2 (C6 H4 BrF3 N2 OS2)

Compound Name

N-[5-bromo-3-(methylsulfanyl)-1,2-thiazol-4-yl]-2,2,2-trifluoroacetamide

IUPAC name

N-[5-bromo-3-(methylsulfanyl)-12-thiazol-4-yl]-222-trifluoroacetamide

SMILES

CSc1nsc(Br)c1NC(C(F)(F)F)=O

InChI

InChI=1S/C6H4BrF3N2OS2/c1-14-4-2(3(7)15-12-4)11-5(13)6(8,9)10/h1H3,(H,11,13)

InChI Key

DAALARZERWGOAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

1.074

Water Solubility, LogSw

-2.61

Polar Surface Area

32.828

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8008-7003 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-7003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7003?
Check Price and Availability of 8008-7003, 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 8008-7003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7003
  • 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 8008-7003 available by request