5286-0244 Screening compound: 2-(3-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

5286-0244 Screening compound: 2-(3-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
5286-0244 Screening compound: 2-(3-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5286-0244
2-(3-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)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

5286-0244

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

2-(3-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(3-{[(2E5E)-2-[(34-dimethylphenyl)imino]-3-methyl-4-oxo-13-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

SMILES

Cc(cc1)c(C)cc1/N=C(\N(C)C1=O)/S/C1=C/c1cc(OCC(O)=O)ccc1

InChI

InChI=1S/C21H20N2O4S/c1-13-7-8-16(9-14(13)2)22-21-23(3)20(26)18(28-21)11-15-5-4-6-17(10-15)27-12-19(24)25/h4-11H,12H2,1-3H3,(H,24,25)

InChI Key

AAWISVHBBZUSAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03167856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

0.130

Water Solubility, LogSw

-4.33

Polar Surface Area

60.784

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

5286-0244 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5286-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5286-0244?
Check Price and Availability of 5286-0244, 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 5286-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5286-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5286-0244
  • 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 5286-0244 available by request