4719-0075 Screening compound: ethyl 1-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate

4719-0075 Screening compound: ethyl 1-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate
4719-0075 Screening compound: ethyl 1-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4719-0075
ethyl 1-[(5Z)-5-[(4-hydroxyphenyl)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

4719-0075

Molecular Formula

C18H20N2O4S (C18 H20 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(S/C1=C\c(cc2)ccc2O)=NC1=O)=O

InChI

InChI=1S/C18H20N2O4S/c1-2-24-17(23)13-7-9-20(10-8-13)18-19-16(22)15(25-18)11-12-3-5-14(21)6-4-12/h3-6,11,13,21H,2,7-10H2,1H3

InChI Key

ZDWHCUWPXUYJEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03033101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.34

Polar Surface Area

63.966

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

4719-0075 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 4719-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4719-0075?
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What is the minimum amount of 4719-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4719-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4719-0075
  • 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 4719-0075 available by request