8005-5952 Screening compound: 2,4-dichlorophenyl {[1-(3-phenylpropyl)-1H-1,3-benzimidazol-2-yl]methyl} ether

8005-5952 Screening compound: 2,4-dichlorophenyl {[1-(3-phenylpropyl)-1H-1,3-benzimidazol-2-yl]methyl} ether
8005-5952 Screening compound: 2,4-dichlorophenyl {[1-(3-phenylpropyl)-1H-1,3-benzimidazol-2-yl]methyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5952
2,4-dichlorophenyl {[1-(3-phenylpropyl)-1H-1,3-benzimidazol-2-yl]methyl} ether

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

8005-5952

Molecular Formula

C23H20Cl2N2O (C23 H20 Cl2 N2 O)

Compound Name

2,4-dichlorophenyl {[1-(3-phenylpropyl)-1H-1,3-benzimidazol-2-yl]methyl} ether

IUPAC name

2-[(24-dichlorophenoxy)methyl]-1-(3-phenylpropyl)-1H-13-benzodiazole

SMILES

Clc(cc1)cc(Cl)c1OCc1nc(cccc2)c2n1CCCc1ccccc1

InChI

InChI=1S/C23H20Cl2N2O/c24-18-12-13-22(19(25)15-18)28-16-23-26-20-10-4-5-11-21(20)27(23)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2

InChI Key

VQNVSELYMKNAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

6.658

Water Solubility, LogSw

-6.47

Polar Surface Area

18.436

Acid Dissociation Constant (pKa)

22.50

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.39

8005-5952 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-5952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5952?
Check Price and Availability of 8005-5952, 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 8005-5952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5952
  • 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 8005-5952 available by request