C066-5563 Screening compound: 1-(4-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

C066-5563 Screening compound: 1-(4-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
C066-5563 Screening compound: 1-(4-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5563
1-(4-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

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

C066-5563

Molecular Formula

C11H14N2O2S2 (C11 H14 N2 O2 S2)

Compound Name

1-(4-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

IUPAC name

1-(4-methylbenzenesulfonyl)-2-(methylsulfanyl)-45-dihydro-1H-imidazole

SMILES

Cc(cc1)ccc1S(N1C(SC)=NCC1)(=O)=O

InChI

InChI=1S/C11H14N2O2S2/c1-9-3-5-10(6-4-9)17(14,15)13-8-7-12-11(13)16-2/h3-6H,7-8H2,1-2H3

InChI Key

MKZAOYBSWAVHBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00107804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.59

Polar Surface Area

42.953

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C066-5563 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C066-5563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5563?
Check Price and Availability of C066-5563, 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 C066-5563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5563
  • 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 C066-5563 available by request