4659-0069 Screening compound: 3-[(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

4659-0069 Screening compound: 3-[(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
4659-0069 Screening compound: 3-[(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4659-0069
3-[(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic 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

4659-0069

Molecular Formula

C17H19NO5S2 (C17 H19 NO5 S2)

Compound Name

3-[(5Z)-5-[(2,4-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5Z)-5-[(24-diethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

CCOc1cc(OCC)c(/C=C(/C(N2CCC(O)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C17H19NO5S2/c1-3-22-12-6-5-11(13(10-12)23-4-2)9-14-16(21)18(17(24)25-14)8-7-15(19)20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)

InChI Key

LVOIDXTYHMAQQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03239928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

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

2.582

Distribution Coefficient, logD

0.050

Water Solubility, LogSw

-2.86

Polar Surface Area

59.410

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 4659-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4659-0069?
Check Price and Availability of 4659-0069, 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 4659-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4659-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4659-0069
  • 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 4659-0069 available by request