3643-0560 Screening compound: ethyl 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

3643-0560 Screening compound: ethyl 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
3643-0560 Screening compound: ethyl 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-0560
ethyl 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

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

3643-0560

Molecular Formula

C16H15NO5S2 (C16 H15 NO5 S2)

Compound Name

ethyl 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

IUPAC name

ethyl 3-[(5Z)-5-[(2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoate

SMILES

CCOC(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)=O

InChI

InChI=1S/C16H15NO5S2/c1-2-20-14(18)5-6-17-15(19)13(24-16(17)23)8-10-3-4-11-12(7-10)22-9-21-11/h3-4,7-8H,2,5-6,9H2,1H3

InChI Key

JKTJNKVHYQWIML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02078517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.28

Polar Surface Area

53.966

Acid Dissociation Constant (pKa)

23.71

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3643-0560 in Drug Discovery

Included in Screening Libraries

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 3643-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-0560?
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What is the minimum amount of 3643-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-0560
  • 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 3643-0560 available by request