5552-0036 Screening compound: 2-(4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

5552-0036 Screening compound: 2-(4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
5552-0036 Screening compound: 2-(4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5552-0036
2-(4-{[(5Z)-3-(2-ethoxy-2-oxoethyl)-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

5552-0036

Molecular Formula

C16H15NO7S (C16 H15 NO7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CN(C(/C(/S1)=C/c(cc2)ccc2OCC(O)=O)=O)C1=O)=O

InChI

InChI=1S/C16H15NO7S/c1-2-23-14(20)8-17-15(21)12(25-16(17)22)7-10-3-5-11(6-4-10)24-9-13(18)19/h3-7H,2,8-9H2,1H3,(H,18,19)

InChI Key

HJNWBPOMLZSWOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04505495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

-2.257

Water Solubility, LogSw

-2.41

Polar Surface Area

85.909

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5552-0036 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 5552-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5552-0036?
Check Price and Availability of 5552-0036, 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 5552-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5552-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5552-0036
  • 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 5552-0036 available by request