5496-0414 Screening compound: 2-[(2Z)-2-[(3-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

5496-0414 Screening compound: 2-[(2Z)-2-[(3-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
5496-0414 Screening compound: 2-[(2Z)-2-[(3-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5496-0414
2-[(2Z)-2-[(3-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

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

5496-0414

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

2-[(2Z)-2-[(3-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

IUPAC name

2-[(2Z)-2-[(3-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-13-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CC(C(N1CC=C)=O)S/C1=N\c1cc(O)ccc1)=O

InChI

InChI=1S/C21H21N3O3S/c1-3-11-24-20(27)18(13-19(26)22-15-9-7-14(2)8-10-15)28-21(24)23-16-5-4-6-17(25)12-16/h3-10,12,18,25H,1,11,13H2,2H3,(H,22,26)/t18-/m0/s1

InChI Key

DECJQFKAVCPBIM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03720195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-3.79

Polar Surface Area

65.880

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5496-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5496-0414?
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What is the minimum amount of 5496-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5496-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5496-0414
  • 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 5496-0414 available by request