5591-2805 Screening compound: 4-methyl-N-[(1E)-3-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

5591-2805 Screening compound: 4-methyl-N-[(1E)-3-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide
5591-2805 Screening compound: 4-methyl-N-[(1E)-3-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2805
4-methyl-N-[(1E)-3-[(4-methylphenyl)sulfanyl]-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

5591-2805

Molecular Formula

C24H19NO3S2 (C24 H19 NO3 S2)

Compound Name

4-methyl-N-[(1E)-3-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[(1E)-3-[(4-methylphenyl)sulfanyl]-4-oxo-14-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1SC(C(c1c2cccc1)=O)=C/C2=N\S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H19NO3S2/c1-16-7-11-18(12-8-16)29-23-15-22(20-5-3-4-6-21(20)24(23)26)25-30(27,28)19-13-9-17(2)10-14-19/h3-15H,1-2H3

InChI Key

KDPFSKFPHBXNGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.096

Distribution Coefficient, logD

6.096

Water Solubility, LogSw

-5.64

Polar Surface Area

51.985

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 5591-2805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2805?
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What is the minimum amount of 5591-2805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2805
  • 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 5591-2805 available by request