5591-0697 Screening compound: N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-(propan-2-yl)benzene-1-sulfonamide

5591-0697 Screening compound: N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-(propan-2-yl)benzene-1-sulfonamide
5591-0697 Screening compound: N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-0697
N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-(propan-2-yl)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

5591-0697

Molecular Formula

C25H22N2O5S2 (C25 H22 N2 O5 S2)

Compound Name

N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-[(1E)-3-benzenesulfonamido-4-oxo-14-dihydronaphthalen-1-ylidene]-4-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(cc1)ccc1S(/N=C(\C=C1NS(c2ccccc2)(=O)=O)/c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C25H22N2O5S2/c1-17(2)18-12-14-20(15-13-18)34(31,32)26-23-16-24(25(28)22-11-7-6-10-21(22)23)27-33(29,30)19-8-4-3-5-9-19/h3-17,27H,1-2H3

InChI Key

XZMSGMDXZKYDIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03470972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.025

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-4.60

Polar Surface Area

93.869

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5591-0697 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5591-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-0697?
Check Price and Availability of 5591-0697, 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 5591-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-0697
  • 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 5591-0697 available by request