3793-5405 Screening compound: 2-{3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid

3793-5405 Screening compound: 2-{3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid
3793-5405 Screening compound: 2-{3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-5405
2-{3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid

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

3793-5405

Molecular Formula

C22H20N2O5S2 (C22 H20 N2 O5 S2)

Compound Name

2-{3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid

IUPAC name

2-{3-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanamido}benzoic acid

SMILES

CCOc1ccc(/C=C(/C(N2CCC(Nc(cccc3)c3C(O)=O)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C22H20N2O5S2/c1-2-29-15-9-7-14(8-10-15)13-18-20(26)24(22(30)31-18)12-11-19(25)23-17-6-4-3-5-16(17)21(27)28/h3-10,13H,2,11-12H2,1H3,(H,23,25)(H,27,28)

InChI Key

FQGAOUZLMHHXJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.207

Distribution Coefficient, logD

-0.206

Water Solubility, LogSw

-4.00

Polar Surface Area

74.404

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3793-5405 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Phosphatases Annotated Library (206 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 3793-5405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-5405?
Check Price and Availability of 3793-5405, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3793-5405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-5405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-5405
  • 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 3793-5405 available by request