4719-0057 Screening compound: (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

4719-0057 Screening compound: (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
4719-0057 Screening compound: (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4719-0057
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

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

4719-0057

Molecular Formula

C16H18N2O2S (C16 H18 N2 O2 S)

Compound Name

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-45-dihydro-13-thiazol-4-one

SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-11-6-8-18(9-7-11)16-17-15(20)14(21-16)10-12-2-4-13(19)5-3-12/h2-5,10-11,19H,6-9H2,1H3

InChI Key

YXVQVHPYLWLIEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.908

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.14

Polar Surface Area

43.212

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4719-0057 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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 4719-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4719-0057?
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What is the minimum amount of 4719-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4719-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4719-0057
  • 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 4719-0057 available by request