8220-1198 Screening compound: 5-(2-oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione

8220-1198 Screening compound: 5-(2-oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione
8220-1198 Screening compound: 5-(2-oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8220-1198
5-(2-oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione

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

8220-1198

Molecular Formula

C11H9NO3S (C11 H9 NO3 S)

Compound Name

5-(2-oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione

IUPAC name

5-(2-oxo-2-phenylethyl)-13-thiazolidine-24-dione

SMILES

O=C(CC(C(N1)=O)SC1=O)c1ccccc1

InChI

InChI=1S/C11H9NO3S/c13-8(7-4-2-1-3-5-7)6-9-10(14)12-11(15)16-9/h1-5,9H,6H2,(H,12,14,15)/t9-/m0/s1

InChI Key

OBWQRHAIALRLKB-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02357296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.331

Distribution Coefficient, logD

0.396

Water Solubility, LogSw

-2.03

Polar Surface Area

51.155

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

8220-1198 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8220-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8220-1198?
Check Price and Availability of 8220-1198, 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 8220-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8220-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8220-1198
  • 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 8220-1198 available by request