C066-5569 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

C066-5569 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
C066-5569 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5569
1-(3,4-dimethylbenzenesulfonyl)-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

C066-5569

Molecular Formula

C12H16N2O2S2 (C12 H16 N2 O2 S2)

Compound Name

1-(3,4-dimethylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

IUPAC name

1-(34-dimethylbenzenesulfonyl)-2-(methylsulfanyl)-45-dihydro-1H-imidazole

SMILES

Cc(cc1)c(C)cc1S(N1C(SC)=NCC1)(=O)=O

InChI

InChI=1S/C12H16N2O2S2/c1-9-4-5-11(8-10(9)2)18(15,16)14-7-6-13-12(14)17-3/h4-5,8H,6-7H2,1-3H3

InChI Key

KPJUCCPRSHYPKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.4

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

2.940

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.16

Polar Surface Area

42.953

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C066-5569 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C066-5569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5569?
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What is the minimum amount of C066-5569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5569
  • 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 C066-5569 available by request