4433-0057 Screening compound: 1-chloro-4-(4-methylbenzenesulfonyl)benzene

4433-0057 Screening compound: 1-chloro-4-(4-methylbenzenesulfonyl)benzene
4433-0057 Screening compound: 1-chloro-4-(4-methylbenzenesulfonyl)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 4433-0057
1-chloro-4-(4-methylbenzenesulfonyl)benzene

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

4433-0057

Molecular Formula

C13H11ClO2S (C13 H11 ClO2 S)

Compound Name

1-chloro-4-(4-methylbenzenesulfonyl)benzene

IUPAC name

1-chloro-4-(4-methylbenzenesulfonyl)benzene

SMILES

Cc(cc1)ccc1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C13H11ClO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3

InChI Key

OFGLBHMUHZRKFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00018659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.75

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

4.205

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.40

Polar Surface Area

29.739

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4433-0057 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4433-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4433-0057?
Check Price and Availability of 4433-0057, 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 4433-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4433-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4433-0057
  • 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 4433-0057 available by request