4896-0125 Screening compound: (4Z)-4-[(4-fluorophenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one

4896-0125 Screening compound: (4Z)-4-[(4-fluorophenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one
4896-0125 Screening compound: (4Z)-4-[(4-fluorophenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0125
(4Z)-4-[(4-fluorophenyl)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

4896-0125

Molecular Formula

C11H8FNOS2 (C11 H8 FNOS2)

Compound Name

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

IUPAC name

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

SMILES

CSC(SC1=O)=N/C1=C\c(cc1)ccc1F

InChI

InChI=1S/C11H8FNOS2/c1-15-11-13-9(10(14)16-11)6-7-2-4-8(12)5-3-7/h2-6H,1H3

InChI Key

XJDULMCMDXPILG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.47

Polar Surface Area

22.354

Acid Dissociation Constant (pKa)

38.14

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4896-0125 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4896-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-0125?
Check Price and Availability of 4896-0125, 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 4896-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0125
  • 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 4896-0125 available by request