5685-0305 Screening compound: 4-[(5Z)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]butanoic acid

5685-0305 Screening compound: 4-[(5Z)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]butanoic acid
5685-0305 Screening compound: 4-[(5Z)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5685-0305
4-[(5Z)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]butanoic 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

5685-0305

Molecular Formula

C16H15NO4S (C16 H15 NO4 S)

Compound Name

4-[(5Z)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl]butanoic acid

IUPAC name

4-[(5Z)-24-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-13-thiazolidin-3-yl]butanoic acid

SMILES

OC(CCCN(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C16H15NO4S/c18-14(19)10-5-11-17-15(20)13(22-16(17)21)9-4-8-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,18,19)

InChI Key

MXDNHABTSLQECK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

-0.341

Water Solubility, LogSw

-2.49

Polar Surface Area

58.229

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5685-0305 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5685-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5685-0305?
Check Price and Availability of 5685-0305, 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 5685-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5685-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5685-0305
  • 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 5685-0305 available by request