4873-0230 Screening compound: 3-{[2,4-dioxo-5-(phenylamino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

4873-0230 Screening compound: 3-{[2,4-dioxo-5-(phenylamino)-1,3-thiazolidin-3-yl]methyl}benzoic acid
4873-0230 Screening compound: 3-{[2,4-dioxo-5-(phenylamino)-1,3-thiazolidin-3-yl]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4873-0230
3-{[2,4-dioxo-5-(phenylamino)-1,3-thiazolidin-3-yl]methyl}benzoic 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

4873-0230

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

3-{[2,4-dioxo-5-(phenylamino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

IUPAC name

3-{[24-dioxo-5-(phenylamino)-13-thiazolidin-3-yl]methyl}benzoic acid

SMILES

OC(c1cccc(CN(C(C(Nc2ccccc2)S2)=O)C2=O)c1)=O

InChI

InChI=1S/C17H14N2O4S/c20-15-14(18-13-7-2-1-3-8-13)24-17(23)19(15)10-11-5-4-6-12(9-11)16(21)22/h1-9,14,18H,10H2,(H,21,22)/t14-/m0/s1

InChI Key

GZKIAFLMIQKHCK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03131910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

-0.211

Water Solubility, LogSw

-3.44

Polar Surface Area

67.404

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

4873-0230 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 4873-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4873-0230?
Check Price and Availability of 4873-0230, 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 4873-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4873-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4873-0230
  • 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 4873-0230 available by request