4358-5452 Screening compound: 2-hydroxy-N'-{4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide

4358-5452 Screening compound: 2-hydroxy-N'-{4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
4358-5452 Screening compound: 2-hydroxy-N'-{4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-5452
2-hydroxy-N'-{4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide

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

4358-5452

Molecular Formula

C22H21N3O4S2 (C22 H21 N3 O4 S2)

Compound Name

2-hydroxy-N'-{4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide

IUPAC name

2-hydroxy-N'-{4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanoyl}benzohydrazide

SMILES

Cc1ccc(/C=C(/C(N2CCCC(NNC(c(cccc3)c3O)=O)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C22H21N3O4S2/c1-14-8-10-15(11-9-14)13-18-21(29)25(22(30)31-18)12-4-7-19(27)23-24-20(28)16-5-2-3-6-17(16)26/h2-3,5-6,8-11,13,26H,4,7,12H2,1H3,(H,23,27)(H,24,28)

InChI Key

RHOVPAIIXAFCFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02369954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.35

Polar Surface Area

84.223

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4358-5452 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4358-5452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-5452?
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What is the minimum amount of 4358-5452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-5452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-5452
  • 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 4358-5452 available by request