0538-0013 Screening compound: 4-chlorophenyl benzenesulfonate

0538-0013 Screening compound: 4-chlorophenyl benzenesulfonate
0538-0013 Screening compound: 4-chlorophenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0538-0013
4-chlorophenyl benzenesulfonate

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

0538-0013

Molecular Formula

C12H9ClO3S (C12 H9 ClO3 S)

Compound Name

4-chlorophenyl benzenesulfonate

IUPAC name

4-chlorophenyl benzenesulfonate

SMILES

O=S(c1ccccc1)(Oc(cc1)ccc1Cl)=O

InChI

InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H

InChI Key

SPJOZZSIXXJYBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00055414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.54

Polar Surface Area

36.000

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0538-0013 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 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 0538-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0538-0013?
Check Price and Availability of 0538-0013, 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 0538-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0538-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0538-0013
  • 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 0538-0013 available by request