4456-1102 Screening compound: N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-chlorobenzene-1-sulfonamide

4456-1102 Screening compound: N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-chlorobenzene-1-sulfonamide
4456-1102 Screening compound: N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-chlorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-1102
N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-chlorobenzene-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

4456-1102

Molecular Formula

C22H15ClN2O5S2 (C22 H15 ClN2 O5 S2)

Compound Name

N-[(1E)-3-benzenesulfonamido-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-chlorobenzene-1-sulfonamide

IUPAC name

N-[(1E)-3-benzenesulfonamido-4-oxo-14-dihydronaphthalen-1-ylidene]-4-chlorobenzene-1-sulfonamide

SMILES

O=C(c1c2cccc1)C(NS(c1ccccc1)(=O)=O)=C/C2=N\S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C22H15ClN2O5S2/c23-15-10-12-17(13-11-15)32(29,30)24-20-14-21(22(26)19-9-5-4-8-18(19)20)25-31(27,28)16-6-2-1-3-7-16/h1-14,25H

InChI Key

NZEIHZXCWCPVEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.96

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

4.282

Distribution Coefficient, logD

0.469

Water Solubility, LogSw

-4.77

Polar Surface Area

93.869

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4456-1102 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4456-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-1102?
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What is the minimum amount of 4456-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-1102
  • 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 4456-1102 available by request