5521-0162 Screening compound: 3-(4-methoxyphenyl)-2-(thiophen-2-yl)-1,3-thiazolidin-4-one

5521-0162 Screening compound: 3-(4-methoxyphenyl)-2-(thiophen-2-yl)-1,3-thiazolidin-4-one
5521-0162 Screening compound: 3-(4-methoxyphenyl)-2-(thiophen-2-yl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5521-0162
3-(4-methoxyphenyl)-2-(thiophen-2-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

5521-0162

Molecular Formula

C14H13NO2S2 (C14 H13 NO2 S2)

Compound Name

3-(4-methoxyphenyl)-2-(thiophen-2-yl)-1,3-thiazolidin-4-one

IUPAC name

3-(4-methoxyphenyl)-2-(thiophen-2-yl)-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1N(C(c1cccs1)SC1)C1=O

InChI

InChI=1S/C14H13NO2S2/c1-17-11-6-4-10(5-7-11)15-13(16)9-19-14(15)12-3-2-8-18-12/h2-8,14H,9H2,1H3/t14-/m0/s1

InChI Key

QBICGKPVLXXOFT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01841877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.17

Polar Surface Area

24.695

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

-9.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

5521-0162 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5521-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5521-0162?
Check Price and Availability of 5521-0162, 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 5521-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5521-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5521-0162
  • 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 5521-0162 available by request