2368-0639 Screening compound: methyl 4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

2368-0639 Screening compound: methyl 4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
2368-0639 Screening compound: methyl 4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0639
methyl 4-{[(2Z,5Z)-2-[(3,5-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

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

2368-0639

Molecular Formula

C20H18N2O3S (C20 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(/N=C(/NC2=O)\S/C2=C\c(cc2)ccc2C(OC)=O)cc(C)c1

InChI

InChI=1S/C20H18N2O3S/c1-12-8-13(2)10-16(9-12)21-20-22-18(23)17(26-20)11-14-4-6-15(7-5-14)19(24)25-3/h4-11H,1-3H3,(H,21,22,23)

InChI Key

ZISHXGYRJGOYHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.33

Polar Surface Area

54.326

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 2368-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0639?
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What is the minimum amount of 2368-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0639
  • 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 2368-0639 available by request