4896-5377 Screening compound: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one

4896-5377 Screening compound: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one
4896-5377 Screening compound: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-5377
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-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

4896-5377

Molecular Formula

C13H13NO3S2 (C13 H13 NO3 S2)

Compound Name

(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one

IUPAC name

(4Z)-4-[(34-dimethoxyphenyl)methylidene]-2-(methylsulfanyl)-45-dihydro-13-thiazol-5-one

SMILES

COc(ccc(/C=C1\N=C(SC)SC1=O)c1)c1OC

InChI

InChI=1S/C13H13NO3S2/c1-16-10-5-4-8(7-11(10)17-2)6-9-12(15)19-13(14-9)18-3/h4-7H,1-3H3

InChI Key

MZRPHCAYDKHTAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02377450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.27

Polar Surface Area

37.615

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4896-5377 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 4896-5377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-5377?
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What is the minimum amount of 4896-5377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-5377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-5377
  • 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 4896-5377 available by request