C066-5577 Screening compound: 1-(2-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

C066-5577 Screening compound: 1-(2-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
C066-5577 Screening compound: 1-(2-methylbenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5577
1-(2-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

C066-5577

Molecular Formula

C11H14N2O2S2 (C11 H14 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1S(N1C(SC)=NCC1)(=O)=O

InChI

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

InChI Key

FKYYPSOWLIKHIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716270

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

2.073

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.25

Polar Surface Area

42.953

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C066-5577 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-5577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5577?
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What is the minimum amount of C066-5577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5577
  • 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 C066-5577 available by request