5568-0296 Screening compound: (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

5568-0296 Screening compound: (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one
5568-0296 Screening compound: (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5568-0296
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)piperazin-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

5568-0296

Molecular Formula

C17H21N3O4S (C17 H21 N3 O4 S)

Compound Name

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-45-dihydro-13-thiazol-4-one

SMILES

COc(cc(/C=C1\SC(N2CCN(CCO)CC2)=NC1=O)cc1)c1O

InChI

InChI=1S/C17H21N3O4S/c1-24-14-10-12(2-3-13(14)22)11-15-16(23)18-17(25-15)20-6-4-19(5-7-20)8-9-21/h2-3,10-11,21-22H,4-9H2,1H3

InChI Key

DZWOUCAOXZWQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08681923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.739

Distribution Coefficient, logD

0.496

Water Solubility, LogSw

-1.79

Polar Surface Area

70.220

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

5568-0296 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5568-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5568-0296?
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What is the minimum amount of 5568-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5568-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5568-0296
  • 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 5568-0296 available by request