5794-0680 Screening compound: 2-(4-chlorophenyl)-2,5-dimethyl-4-phenyl-2H-imidazole-1,3-diium-1,3-bis(olate)

5794-0680 Screening compound: 2-(4-chlorophenyl)-2,5-dimethyl-4-phenyl-2H-imidazole-1,3-diium-1,3-bis(olate)
5794-0680 Screening compound: 2-(4-chlorophenyl)-2,5-dimethyl-4-phenyl-2H-imidazole-1,3-diium-1,3-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 5794-0680
2-(4-chlorophenyl)-2,5-dimethyl-4-phenyl-2H-imidazole-1,3-diium-1,3-bis(olate)

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

5794-0680

Molecular Formula

C17H15ClN2O2 (C17 H15 ClN2 O2)

Compound Name

2-(4-chlorophenyl)-2,5-dimethyl-4-phenyl-2H-imidazole-1,3-diium-1,3-bis(olate)

IUPAC name

2-(4-chlorophenyl)-25-dimethyl-4-phenyl-2H-imidazole-13-diium-13-bis(olate)

SMILES

CC(c(cc1)ccc1Cl)([N+]([O-])=C1C)[N+]([O-])=C1c1ccccc1

InChI

InChI=1S/C17H15ClN2O2/c1-12-16(13-6-4-3-5-7-13)20(22)17(2,19(12)21)14-8-10-15(18)11-9-14/h3-11H,1-2H3/t17-/m0/s1

InChI Key

UWAIRGHJOWHBGE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02140752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.66

Polar Surface Area

38.675

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

5794-0680 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5794-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5794-0680?
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What is the minimum amount of 5794-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5794-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5794-0680
  • 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 5794-0680 available by request