4719-0074 Screening compound: ethyl 1-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate

4719-0074 Screening compound: ethyl 1-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate
4719-0074 Screening compound: ethyl 1-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4719-0074
ethyl 1-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate

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

4719-0074

Molecular Formula

C20H24N2O5S (C20 H24 N2 O5 S)

Compound Name

ethyl 1-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[(5Z)-5-[(34-dimethoxyphenyl)methylidene]-4-oxo-45-dihydro-13-thiazol-2-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(S/C1=C\c(cc2)cc(OC)c2OC)=NC1=O)=O

InChI

InChI=1S/C20H24N2O5S/c1-4-27-19(24)14-7-9-22(10-8-14)20-21-18(23)17(28-20)12-13-5-6-15(25-2)16(11-13)26-3/h5-6,11-12,14H,4,7-10H2,1-3H3

InChI Key

CUKKELNXCYIUHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03719717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.709

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.05

Polar Surface Area

61.610

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

4719-0074 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4719-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4719-0074?
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What is the minimum amount of 4719-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4719-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4719-0074
  • 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 4719-0074 available by request