4896-4745 Screening compound: (4Z)-2-(ethylsulfanyl)-4-[(5-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-thiazol-5-one

4896-4745 Screening compound: (4Z)-2-(ethylsulfanyl)-4-[(5-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-thiazol-5-one
4896-4745 Screening compound: (4Z)-2-(ethylsulfanyl)-4-[(5-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4745
(4Z)-2-(ethylsulfanyl)-4-[(5-methylthiophen-2-yl)methylidene]-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

4896-4745

Molecular Formula

C11H11NOS3 (C11 H11 NOS3)

Compound Name

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

IUPAC name

(4Z)-2-(ethylsulfanyl)-4-[(5-methylthiophen-2-yl)methylidene]-45-dihydro-13-thiazol-5-one

SMILES

CCSC(SC1=O)=N/C1=C\c1ccc(C)s1

InChI

InChI=1S/C11H11NOS3/c1-3-14-11-12-9(10(13)16-11)6-8-5-4-7(2)15-8/h4-6H,3H2,1-2H3

InChI Key

WQQJTGXRPZBLIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.03

Polar Surface Area

23.372

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4896-4745 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4896-4745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4745?
Check Price and Availability of 4896-4745, 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 4896-4745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4745
  • 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 4896-4745 available by request