0195-0037 Screening compound: 1-chloro-4-trifluoromethanesulfonylbenzene

0195-0037 Screening compound: 1-chloro-4-trifluoromethanesulfonylbenzene
0195-0037 Screening compound: 1-chloro-4-trifluoromethanesulfonylbenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0195-0037
1-chloro-4-trifluoromethanesulfonylbenzene

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

0195-0037

Molecular Formula

C7H4ClF3O2S (C7 H4 ClF3 O2 S)

Compound Name

1-chloro-4-trifluoromethanesulfonylbenzene

IUPAC name

1-chloro-4-trifluoromethanesulfonylbenzene

SMILES

O=S(C(F)(F)F)(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C7H4ClF3O2S/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4H

InChI Key

PVPZMAOFUOXVHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00159084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.66

Polar Surface Area

30.011

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0195-0037 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0195-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0195-0037?
Check Price and Availability of 0195-0037, 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 0195-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0195-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0195-0037
  • 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 0195-0037 available by request