4490-1932 Screening compound: methyl 2-[(5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

4490-1932 Screening compound: methyl 2-[(5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
4490-1932 Screening compound: methyl 2-[(5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1932
methyl 2-[(5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]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

4490-1932

Molecular Formula

C19H13NO5S2 (C19 H13 NO5 S2)

Compound Name

methyl 2-[(5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

IUPAC name

methyl 2-[(5E)-5-[(2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzoate

SMILES

COC(c(cccc1)c1N(C(/C(/S1)=C\c(cc2)cc3c2OCO3)=O)C1=S)=O

InChI

InChI=1S/C19H13NO5S2/c1-23-18(22)12-4-2-3-5-13(12)20-17(21)16(27-19(20)26)9-11-6-7-14-15(8-11)25-10-24-14/h2-9H,10H2,1H3

InChI Key

LOVBHJROPUEUIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-4.12

Polar Surface Area

53.819

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

4490-1932 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4490-1932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1932?
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What is the minimum amount of 4490-1932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1932
  • 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 4490-1932 available by request