3793-5554 Screening compound: 4-[(5E)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)butanamide

3793-5554 Screening compound: 4-[(5E)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)butanamide
3793-5554 Screening compound: 4-[(5E)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-5554
4-[(5E)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)butanamide

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

3793-5554

Molecular Formula

C22H21N3O5S2 (C22 H21 N3 O5 S2)

Compound Name

4-[(5E)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)butanamide

IUPAC name

4-[(5E)-24-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-13-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)butanamide

SMILES

NS(c(cc1)ccc1NC(CCCN(C(/C(/S1)=C\C=C\c2ccccc2)=O)C1=O)=O)(=O)=O

InChI

InChI=1S/C22H21N3O5S2/c23-32(29,30)18-13-11-17(12-14-18)24-20(26)10-5-15-25-21(27)19(31-22(25)28)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H2,23,29,30)

InChI Key

OCTFKILEBYHLNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.83

Polar Surface Area

103.326

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3793-5554 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3793-5554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-5554?
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What is the minimum amount of 3793-5554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-5554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-5554
  • 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 3793-5554 available by request