5504-0296 Screening compound: 1-[3-(4-CHLOROPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHAN-1-ONE

5504-0296 Screening compound: 1-[3-(4-CHLOROPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHAN-1-ONE
5504-0296 Screening compound: 1-[3-(4-CHLOROPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0296
1-[3-(4-CHLOROPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHAN-1-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

5504-0296

Molecular Formula

C12H10ClNOS2 (C12 H10 ClNOS2)

Compound Name

1-[3-(4-CHLOROPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHAN-1-ONE

IUPAC name

n/a

SMILES

CC(C(SC1=S)=C(C)N1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C12H10ClNOS2/c1-7-11(8(2)15)17-12(16)14(7)10-5-3-9(13)4-6-10/h3-6H,1-2H3

InChI Key

IRIDREXPMJJVLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.8

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

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.47

Polar Surface Area

16.374

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

-4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

5504-0296 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5504-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0296?
Check Price and Availability of 5504-0296, 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 5504-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0296
  • 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 5504-0296 available by request