5591-2665 Screening compound: 3-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid

5591-2665 Screening compound: 3-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid
5591-2665 Screening compound: 3-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2665
3-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}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

5591-2665

Molecular Formula

C25H20N2O5S (C25 H20 N2 O5 S)

Compound Name

3-{[(4Z)-4-[(2,4-dimethylbenzenesulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl]amino}benzoic acid

IUPAC name

3-{[(4Z)-4-[(24-dimethylbenzenesulfonyl)imino]-1-oxo-14-dihydronaphthalen-2-yl]amino}benzoic acid

SMILES

Cc(cc1)cc(C)c1S(/N=C(/C=C1Nc2cc(C(O)=O)ccc2)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C25H20N2O5S/c1-15-10-11-23(16(2)12-15)33(31,32)27-21-14-22(24(28)20-9-4-3-8-19(20)21)26-18-7-5-6-17(13-18)25(29)30/h3-14,26H,1-2H3,(H,29,30)

InChI Key

RUWHEBZPTCVEMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-5.23

Polar Surface Area

90.540

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

5591-2665 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5591-2665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2665?
Check Price and Availability of 5591-2665, 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 5591-2665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2665
  • 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 5591-2665 available by request