C066-5578 Screening compound: 1-(benzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

C066-5578 Screening compound: 1-(benzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
C066-5578 Screening compound: 1-(benzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5578
1-(benzenesulfonyl)-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

C066-5578

Molecular Formula

C10H12N2O2S2 (C10 H12 N2 O2 S2)

Compound Name

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

IUPAC name

1-(benzenesulfonyl)-2-(methylsulfanyl)-45-dihydro-1H-imidazole

SMILES

CSC1=NCCN1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C10H12N2O2S2/c1-15-10-11-7-8-12(10)16(13,14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChI Key

GJSBJHCIBMQYJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05012601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.35

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

1.730

Distribution Coefficient, logD

1.730

Water Solubility, LogSw

-2.25

Polar Surface Area

42.953

Acid Dissociation Constant (pKa)

30.49

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C066-5578 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
  • Fragments
Targets:
  • Others
  • Kinases
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-5578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5578?
Check Price and Availability of C066-5578, 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 C066-5578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5578
  • 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 C066-5578 available by request