5591-1891 Screening compound: 2,4,5-trimethyl-N-[4-(2,4,5-trimethylbenzenesulfonamido)phenyl]benzene-1-sulfonamide

5591-1891 Screening compound: 2,4,5-trimethyl-N-[4-(2,4,5-trimethylbenzenesulfonamido)phenyl]benzene-1-sulfonamide
5591-1891 Screening compound: 2,4,5-trimethyl-N-[4-(2,4,5-trimethylbenzenesulfonamido)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-1891
2,4,5-trimethyl-N-[4-(2,4,5-trimethylbenzenesulfonamido)phenyl]benzene-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

5591-1891

Molecular Formula

C24H28N2O4S2 (C24 H28 N2 O4 S2)

Compound Name

2,4,5-trimethyl-N-[4-(2,4,5-trimethylbenzenesulfonamido)phenyl]benzene-1-sulfonamide

IUPAC name

245-trimethyl-N-[4-(245-trimethylbenzenesulfonamido)phenyl]benzene-1-sulfonamide

SMILES

Cc(c(C)c1)cc(C)c1S(Nc(cc1)ccc1NS(c1c(C)cc(C)c(C)c1)(=O)=O)(=O)=O

InChI

InChI=1S/C24H28N2O4S2/c1-15-11-19(5)23(13-17(15)3)31(27,28)25-21-7-9-22(10-8-21)26-32(29,30)24-14-18(4)16(2)12-20(24)6/h7-14,25-26H,1-6H3

InChI Key

BNLMZYAWYZYVJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.418

Distribution Coefficient, logD

6.215

Water Solubility, LogSw

-5.81

Polar Surface Area

81.538

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-7.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5591-1891 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5591-1891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-1891?
Check Price and Availability of 5591-1891, 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 5591-1891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-1891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-1891
  • 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 5591-1891 available by request