2368-0587 Screening compound: 2-[(4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

2368-0587 Screening compound: 2-[(4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2368-0587 Screening compound: 2-[(4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0587
2-[(4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

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

2368-0587

Molecular Formula

C26H21N3O2S (C26 H21 N3 O2 S)

Compound Name

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

IUPAC name

2-[(4-{[(2Z5Z)-2-[(35-dimethylphenyl)imino]-4-oxo-13-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

SMILES

Cc1cc(/N=C(/NC2=O)\S/C2=C\c(cc2)ccc2OCc(cccc2)c2C#N)cc(C)c1

InChI

InChI=1S/C26H21N3O2S/c1-17-11-18(2)13-22(12-17)28-26-29-25(30)24(32-26)14-19-7-9-23(10-8-19)31-16-21-6-4-3-5-20(21)15-27/h3-14H,16H2,1-2H3,(H,28,29,30)

InChI Key

AUJXYYKQTNPWDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.38

Polar Surface Area

57.436

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

2368-0587 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2368-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0587?
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What is the minimum amount of 2368-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0587
  • 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 2368-0587 available by request