3229-2869 Screening compound: (5E)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

3229-2869 Screening compound: (5E)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
3229-2869 Screening compound: (5E)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2869
(5E)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

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

3229-2869

Molecular Formula

C12H11NO3S (C12 H11 NO3 S)

Compound Name

(5E)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-[(4-ethoxyphenyl)methylidene]-13-thiazolidine-24-dione

SMILES

CCOc1ccc(/C=C(\C(N2)=O)/SC2=O)cc1

InChI

InChI=1S/C12H11NO3S/c1-2-16-9-5-3-8(4-6-9)7-10-11(14)13-12(15)17-10/h3-7H,2H2,1H3,(H,13,14,15)

InChI Key

GIRVZKMQGSXZKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.863

Water Solubility, LogSw

-2.49

Polar Surface Area

45.032

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3229-2869 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3229-2869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2869?
Check Price and Availability of 3229-2869, 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 3229-2869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2869
  • 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 3229-2869 available by request