0195-0031 Screening compound: 1-chloro-2,4-dimethanesulfonylbenzene

0195-0031 Screening compound: 1-chloro-2,4-dimethanesulfonylbenzene
0195-0031 Screening compound: 1-chloro-2,4-dimethanesulfonylbenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0195-0031
1-chloro-2,4-dimethanesulfonylbenzene

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

0195-0031

Molecular Formula

C8H9ClO4S2 (C8 H9 ClO4 S2)

Compound Name

1-chloro-2,4-dimethanesulfonylbenzene

IUPAC name

1-chloro-24-dimethanesulfonylbenzene

SMILES

CS(c(cc1)cc(S(C)(=O)=O)c1Cl)(=O)=O

InChI

InChI=1S/C8H9ClO4S2/c1-14(10,11)6-3-4-7(9)8(5-6)15(2,12)13/h3-5H,1-2H3

InChI Key

UKDQQMUWOMVLCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00159187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.235

Distribution Coefficient, logD

0.235

Water Solubility, LogSw

-2.39

Polar Surface Area

59.736

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0195-0031 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0195-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0195-0031?
Check Price and Availability of 0195-0031, 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 0195-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0195-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0195-0031
  • 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 0195-0031 available by request