1799-0213 Screening compound: 3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

1799-0213 Screening compound: 3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
1799-0213 Screening compound: 3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1799-0213
3-(4-chlorophenyl)-2-(4-methoxyphenyl)-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

1799-0213

Molecular Formula

C16H14ClNO2S (C16 H14 ClNO2 S)

Compound Name

3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

IUPAC name

3-(4-chlorophenyl)-2-(4-methoxyphenyl)-13-thiazolidin-4-one

SMILES

COc1ccc(C(N2c(cc3)ccc3Cl)SCC2=O)cc1

InChI

InChI=1S/C16H14ClNO2S/c1-20-14-8-2-11(3-9-14)16-18(15(19)10-21-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3/t16-/m0/s1

InChI Key

NVXZIKKGGPKDLD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00993149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.81

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

3.834

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.70

Polar Surface Area

23.677

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

-11.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1799-0213 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 1799-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1799-0213?
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What is the minimum amount of 1799-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1799-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1799-0213
  • 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 1799-0213 available by request