5786-1045 Screening compound: 1-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole

5786-1045 Screening compound: 1-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole
5786-1045 Screening compound: 1-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1045
1-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole

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

5786-1045

Molecular Formula

C21H17ClN2O (C21 H17 ClN2 O)

Compound Name

1-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-1H-1,3-benzodiazole

IUPAC name

1-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-1H-13-benzodiazole

SMILES

COc(cc1)ccc1-c1nc(cccc2)c2n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C21H17ClN2O/c1-25-18-12-8-16(9-13-18)21-23-19-4-2-3-5-20(19)24(21)14-15-6-10-17(22)11-7-15/h2-13H,14H2,1H3

InChI Key

JCUSEZQDDFWFDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.029

Distribution Coefficient, logD

6.028

Water Solubility, LogSw

-6.40

Polar Surface Area

17.439

Acid Dissociation Constant (pKa)

21.14

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

5786-1045 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS targets activity set (6557 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 5786-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1045?
Check Price and Availability of 5786-1045, 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 5786-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1045
  • 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 5786-1045 available by request