8005-8932 Screening compound: 3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

8005-8932 Screening compound: 3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
8005-8932 Screening compound: 3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8932
3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic 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

8005-8932

Molecular Formula

C12H12FNO3S (C12 H12 FNO3 S)

Compound Name

3-acetyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

IUPAC name

3-acetyl-2-(4-fluorophenyl)-13-thiazolidine-4-carboxylic acid

SMILES

CC(N1C(c(cc2)ccc2F)SCC1C(O)=O)=O

InChI

InChI=1S/C12H12FNO3S/c1-7(15)14-10(12(16)17)6-18-11(14)8-2-4-9(13)5-3-8/h2-5,10-11H,6H2,1H3,(H,16,17)

InChI Key

QRPAQKCEQIGTSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00613804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.074

Distribution Coefficient, logD

-3.407

Water Solubility, LogSw

-1.93

Polar Surface Area

45.172

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-11.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

8005-8932 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-8932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8932?
Check Price and Availability of 8005-8932, 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 8005-8932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8932
  • 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 8005-8932 available by request