5512-0062 Screening compound: (2E)-2-[(4-hydroxyphenyl)imino]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one

5512-0062 Screening compound: (2E)-2-[(4-hydroxyphenyl)imino]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
5512-0062 Screening compound: (2E)-2-[(4-hydroxyphenyl)imino]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5512-0062
(2E)-2-[(4-hydroxyphenyl)imino]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one

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

5512-0062

Molecular Formula

C12H12N2O2S (C12 H12 N2 O2 S)

Compound Name

(2E)-2-[(4-hydroxyphenyl)imino]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one

IUPAC name

(2E)-2-[(4-hydroxyphenyl)imino]-3-(prop-2-en-1-yl)-13-thiazolidin-4-one

SMILES

C=CCN(C(CS1)=O)/C1=N\c(cc1)ccc1O

InChI

InChI=1S/C12H12N2O2S/c1-2-7-14-11(16)8-17-12(14)13-9-3-5-10(15)6-4-9/h2-6,15H,1,7-8H2

InChI Key

VTRUQDDSWNCNSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03506040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.736

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-1.97

Polar Surface Area

43.280

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5512-0062 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5512-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5512-0062?
Check Price and Availability of 5512-0062, 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 5512-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5512-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5512-0062
  • 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 5512-0062 available by request