7944-0046 Screening compound: 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid

7944-0046 Screening compound: 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid
7944-0046 Screening compound: 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7944-0046
2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic 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

7944-0046

Molecular Formula

C12H11NO4S (C12 H11 NO4 S)

Compound Name

2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid

IUPAC name

2-(3-benzyl-24-dioxo-13-thiazolidin-5-yl)acetic acid

SMILES

OC(CC(C(N1Cc2ccccc2)=O)SC1=O)=O

InChI

InChI=1S/C12H11NO4S/c14-10(15)6-9-11(16)13(12(17)18-9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)/t9-/m0/s1

InChI Key

XZHWHTSOQTXOTL-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05885495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

-1.605

Water Solubility, LogSw

-1.96

Polar Surface Area

58.251

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-10.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

7944-0046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7944-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7944-0046?
Check Price and Availability of 7944-0046, 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 7944-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7944-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7944-0046
  • 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 7944-0046 available by request