5591-2294 Screening compound: 4-ethoxy-N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

5591-2294 Screening compound: 4-ethoxy-N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide
5591-2294 Screening compound: 4-ethoxy-N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2294
4-ethoxy-N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]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

5591-2294

Molecular Formula

C25H22N2O4S (C25 H22 N2 O4 S)

Compound Name

4-ethoxy-N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

IUPAC name

4-ethoxy-N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-14-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(/N=C(/C=C1Nc2ccc(C)cc2)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C25H22N2O4S/c1-3-31-19-12-14-20(15-13-19)32(29,30)27-23-16-24(26-18-10-8-17(2)9-11-18)25(28)22-7-5-4-6-21(22)23/h4-16,26H,3H2,1-2H3

InChI Key

PHKMCEMLUDZSGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.48

Polar Surface Area

69.256

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 5591-2294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2294?
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What is the minimum amount of 5591-2294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2294
  • 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 5591-2294 available by request