0489-0071 Screening compound: N-(4-bromophenyl)-3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzene-1-sulfonamide

0489-0071 Screening compound: N-(4-bromophenyl)-3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzene-1-sulfonamide
0489-0071 Screening compound: N-(4-bromophenyl)-3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0489-0071
N-(4-bromophenyl)-3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzene-1-sulfonamide

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

0489-0071

Molecular Formula

C20H17BrClNO4S2 (C20 H17 BrClNO4 S2)

Compound Name

N-(4-bromophenyl)-3-(4-chlorobenzenesulfonyl)-2,5-dimethylbenzene-1-sulfonamide

IUPAC name

N-(4-bromophenyl)-3-(4-chlorobenzenesulfonyl)-25-dimethylbenzene-1-sulfonamide

SMILES

Cc1cc(S(Nc(cc2)ccc2Br)(=O)=O)c(C)c(S(c(cc2)ccc2Cl)(=O)=O)c1

InChI

InChI=1S/C20H17BrClNO4S2/c1-13-11-19(28(24,25)18-9-5-16(22)6-10-18)14(2)20(12-13)29(26,27)23-17-7-3-15(21)4-8-17/h3-12,23H,1-2H3

InChI Key

FHJGXFHFZSUERY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00691720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-6.23

Polar Surface Area

70.389

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

-12.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0489-0071 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0489-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0489-0071?
Check Price and Availability of 0489-0071, 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 0489-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0489-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0489-0071
  • 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 0489-0071 available by request