4065-0139 Screening compound: (4,5-dihydro-1,3-thiazol-2-ylsulfanyl)(4-methylphenyl)methanone

4065-0139 Screening compound: (4,5-dihydro-1,3-thiazol-2-ylsulfanyl)(4-methylphenyl)methanone
4065-0139 Screening compound: (4,5-dihydro-1,3-thiazol-2-ylsulfanyl)(4-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0139
(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)(4-methylphenyl)methanone

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

4065-0139

Molecular Formula

C11H11NOS2 (C11 H11 NOS2)

Compound Name

(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)(4-methylphenyl)methanone

IUPAC name

(45-dihydro-13-thiazol-2-ylsulfanyl)(4-methylphenyl)methanone

SMILES

Cc(cc1)ccc1C(SC1=NCCS1)=O

InChI

InChI=1S/C11H11NOS2/c1-8-2-4-9(5-3-8)10(13)15-11-12-6-7-14-11/h2-5H,6-7H2,1H3

InChI Key

YUHPMCGZMGYTOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.35

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

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.45

Polar Surface Area

22.952

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4065-0139 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4065-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0139?
Check Price and Availability of 4065-0139, 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 4065-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0139
  • 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 4065-0139 available by request