8014-9521 Screening compound: 1-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-1H-1,3-benzodiazole

8014-9521 Screening compound: 1-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-1H-1,3-benzodiazole
8014-9521 Screening compound: 1-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9521
1-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-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

8014-9521

Molecular Formula

C22H20N2O (C22 H20 N2 O)

Compound Name

1-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-1H-1,3-benzodiazole

IUPAC name

1-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-1H-13-benzodiazole

SMILES

Cc1cccc(Cn2c(cccc3)c3nc2COc2ccccc2)c1

InChI

InChI=1S/C22H20N2O/c1-17-8-7-9-18(14-17)15-24-21-13-6-5-12-20(21)23-22(24)16-25-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3

InChI Key

VZOJTLZZPYMSFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.580

Water Solubility, LogSw

-5.59

Polar Surface Area

18.371

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8014-9521 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-9521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9521?
Check Price and Availability of 8014-9521, 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 8014-9521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9521
  • 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 8014-9521 available by request