5552-0034 Screening compound: 4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

5552-0034 Screening compound: 4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
5552-0034 Screening compound: 4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5552-0034
4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic 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

5552-0034

Molecular Formula

C15H13NO6S (C15 H13 NO6 S)

Compound Name

4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

IUPAC name

4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-24-dioxo-13-thiazolidin-5-ylidene]methyl}benzoic acid

SMILES

CCOC(CN(C(/C(/S1)=C/c(cc2)ccc2C(O)=O)=O)C1=O)=O

InChI

InChI=1S/C15H13NO6S/c1-2-22-12(17)8-16-13(18)11(23-15(16)21)7-9-3-5-10(6-4-9)14(19)20/h3-7H,2,8H2,1H3,(H,19,20)

InChI Key

JNTCUITZVXIQTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04599345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.538

Distribution Coefficient, logD

-1.069

Water Solubility, LogSw

-2.62

Polar Surface Area

78.434

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5552-0034 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 5552-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5552-0034?
Check Price and Availability of 5552-0034, 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 5552-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5552-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5552-0034
  • 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 5552-0034 available by request