C066-5562 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

C066-5562 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
C066-5562 Screening compound: 1-(4-methoxybenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5562
1-(4-methoxybenzenesulfonyl)-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

C066-5562

Molecular Formula

C11H14N2O3S2 (C11 H14 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C11H14N2O3S2/c1-16-9-3-5-10(6-4-9)18(14,15)13-8-7-12-11(13)17-2/h3-6H,7-8H2,1-2H3

InChI Key

IMDXPVSCZQUAJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04473108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.45

Polar Surface Area

50.497

Acid Dissociation Constant (pKa)

30.49

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C066-5562 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-5562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5562?
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What is the minimum amount of C066-5562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5562
  • 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 C066-5562 available by request