5591-0691 Screening compound: N-[(1Z)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-2,4-dimethylbenzene-1-sulfonamide

5591-0691 Screening compound: N-[(1Z)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-2,4-dimethylbenzene-1-sulfonamide
5591-0691 Screening compound: N-[(1Z)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-2,4-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-0691
N-[(1Z)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-2,4-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

5591-0691

Molecular Formula

C24H20N2O5S2 (C24 H20 N2 O5 S2)

Compound Name

N-[(1Z)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-2,4-dimethylbenzene-1-sulfonamide

IUPAC name

N-[(1Z)-3-benzenesulfonamido-4-oxo-14-dihydronaphthalen-1-ylidene]-24-dimethylbenzene-1-sulfonamide

SMILES

Cc(cc1)cc(C)c1S(/N=C(/C=C1NS(c2ccccc2)(=O)=O)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C24H20N2O5S2/c1-16-12-13-23(17(2)14-16)33(30,31)25-21-15-22(24(27)20-11-7-6-10-19(20)21)26-32(28,29)18-8-4-3-5-9-18/h3-15,26H,1-2H3

InChI Key

YEJHAAXJCOITDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-4.37

Polar Surface Area

93.869

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

5591-0691 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Digestive system
  • Nervous system
Targets:
  • Nuclear receptors
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5591-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-0691?
Check Price and Availability of 5591-0691, 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 5591-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-0691
  • 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 5591-0691 available by request