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

MDL Number (MFCD)

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?
Check Price and Availability of 4896-5377, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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