0082-0006 Screening compound: 1-benzyl-2-methyl-1H-1,3-benzodiazole

0082-0006 Screening compound: 1-benzyl-2-methyl-1H-1,3-benzodiazole
0082-0006 Screening compound: 1-benzyl-2-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0082-0006
1-benzyl-2-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

0082-0006

Molecular Formula

C15H14N2 (C15 H14 N2)

Compound Name

1-benzyl-2-methyl-1H-1,3-benzodiazole

IUPAC name

1-benzyl-2-methyl-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C15H14N2/c1-12-16-14-9-5-6-10-15(14)17(12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

InChI Key

UFSXKKJZEMLAJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.29

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.35

Polar Surface Area

10.944

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0082-0006 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0082-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0082-0006?
Check Price and Availability of 0082-0006, 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 0082-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0082-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0082-0006
  • 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 0082-0006 available by request