0489-0072 Screening compound: 4-[3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzenesulfonamido]benzoic acid

0489-0072 Screening compound: 4-[3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzenesulfonamido]benzoic acid
0489-0072 Screening compound: 4-[3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzenesulfonamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0489-0072
4-[3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzenesulfonamido]benzoic acid

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

0489-0072

Molecular Formula

C21H18ClNO6S2 (C21 H18 ClNO6 S2)

Compound Name

4-[3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzenesulfonamido]benzoic acid

IUPAC name

4-[3-(4-chlorobenzenesulfonyl)-25-dimethylbenzenesulfonamido]benzoic acid

SMILES

Cc1cc(S(c(cc2)ccc2Cl)(=O)=O)c(C)c(S(Nc(cc2)ccc2C(O)=O)(=O)=O)c1

InChI

InChI=1S/C21H18ClNO6S2/c1-13-11-19(30(26,27)18-9-5-16(22)6-10-18)14(2)20(12-13)31(28,29)23-17-7-3-15(4-8-17)21(24)25/h3-12,23H,1-2H3,(H,24,25)

InChI Key

UVKBCGZIJNYPAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00627910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.96

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-4.71

Polar Surface Area

98.797

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-13.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

0489-0072 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 0489-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0489-0072?
Check Price and Availability of 0489-0072, 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 0489-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0489-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0489-0072
  • 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 0489-0072 available by request