5236-0002 Screening compound: 1-(4-chlorophenyl)-3-(4-methylbenzenesulfonyl)urea

5236-0002 Screening compound: 1-(4-chlorophenyl)-3-(4-methylbenzenesulfonyl)urea
5236-0002 Screening compound: 1-(4-chlorophenyl)-3-(4-methylbenzenesulfonyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5236-0002
1-(4-chlorophenyl)-3-(4-methylbenzenesulfonyl)urea

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

5236-0002

Molecular Formula

C14H13ClN2O3S (C14 H13 ClN2 O3 S)

Compound Name

1-(4-chlorophenyl)-3-(4-methylbenzenesulfonyl)urea

IUPAC name

1-(4-chlorophenyl)-3-(4-methylbenzenesulfonyl)urea

SMILES

Cc(cc1)ccc1S(NC(Nc(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C14H13ClN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)

InChI Key

YOIDHZBOHMNTNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00416316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-4.24

Polar Surface Area

64.279

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5236-0002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5236-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0002?
Check Price and Availability of 5236-0002, 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 5236-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0002
  • 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 5236-0002 available by request