3229-1414 Screening compound: 2-(4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

3229-1414 Screening compound: 2-(4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
3229-1414 Screening compound: 2-(4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1414
2-(4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic 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

3229-1414

Molecular Formula

C12H9NO5S (C12 H9 NO5 S)

Compound Name

2-(4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(4-{[(5E)-24-dioxo-13-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

SMILES

OC(COc1ccc(/C=C(\C(N2)=O)/SC2=O)cc1)=O

InChI

InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)

InChI Key

WXMCOLGPDOYHNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.818

Distribution Coefficient, logD

-3.419

Water Solubility, LogSw

-1.91

Polar Surface Area

73.791

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3229-1414 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

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 3229-1414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1414?
Check Price and Availability of 3229-1414, 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 3229-1414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1414
  • 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 3229-1414 available by request