5786-1094 Screening compound: 2-benzyl-1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazole

5786-1094 Screening compound: 2-benzyl-1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazole
5786-1094 Screening compound: 2-benzyl-1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1094
2-benzyl-1-[(4-chlorophenyl)methyl]-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

5786-1094

Molecular Formula

C21H17ClN2 (C21 H17 ClN2)

Compound Name

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

IUPAC name

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

SMILES

Clc1ccc(Cn2c(cccc3)c3nc2Cc2ccccc2)cc1

InChI

InChI=1S/C21H17ClN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h1-13H,14-15H2

InChI Key

AWVBWSWHJBTFNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03669283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.83

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.772

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-6.21

Polar Surface Area

10.872

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

5786-1094 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5786-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1094?
Check Price and Availability of 5786-1094, 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 5786-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1094
  • 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 5786-1094 available by request