1889-2482 Screening compound: ethyl 4-{2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}benzoate

1889-2482 Screening compound: ethyl 4-{2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}benzoate
1889-2482 Screening compound: ethyl 4-{2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2482
ethyl 4-{2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}benzoate

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

1889-2482

Molecular Formula

C22H20N2O4S2 (C22 H20 N2 O4 S2)

Compound Name

ethyl 4-{2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C(/C(/S1)=C/c2ccc(C)cc2)=O)C1=S)=O)=O

InChI

InChI=1S/C22H20N2O4S2/c1-3-28-21(27)16-8-10-17(11-9-16)23-19(25)13-24-20(26)18(30-22(24)29)12-15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,23,25)

InChI Key

ZLIYVWRDARUKMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01035724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.43

Polar Surface Area

60.345

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 1889-2482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-2482?
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What is the minimum amount of 1889-2482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2482
  • 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 1889-2482 available by request