5512-0045 Screening compound: 2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

5512-0045 Screening compound: 2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
5512-0045 Screening compound: 2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5512-0045
2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

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

5512-0045

Molecular Formula

C19H19N3O3S (C19 H19 N3 O3 S)

Compound Name

2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

IUPAC name

2-[(2E)-2-[(4-ethoxyphenyl)imino]-4-oxo-13-thiazolidin-5-yl]-N-phenylacetamide

SMILES

CCOc(cc1)ccc1/N=C(\N1)/SC(CC(Nc2ccccc2)=O)C1=O

InChI

InChI=1S/C19H19N3O3S/c1-2-25-15-10-8-14(9-11-15)21-19-22-18(24)16(26-19)12-17(23)20-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22,24)/t16-/m0/s1

InChI Key

PSWCXQCJDBVUSZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03506027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

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

2.936

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.48

Polar Surface Area

63.426

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

5512-0045 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5512-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5512-0045?
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What is the minimum amount of 5512-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5512-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5512-0045
  • 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 5512-0045 available by request