6067-2797 Screening compound: 4-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline

6067-2797 Screening compound: 4-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline
6067-2797 Screening compound: 4-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6067-2797
4-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline

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

6067-2797

Molecular Formula

C15H15N3 (C15 H15 N3)

Compound Name

4-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline

IUPAC name

4-[(5-methyl-1H-13-benzodiazol-2-yl)methyl]aniline

SMILES

Cc(cc1)cc2c1[nH]c(Cc(cc1)ccc1N)n2

InChI

InChI=1S/C15H15N3/c1-10-2-7-13-14(8-10)18-15(17-13)9-11-3-5-12(16)6-4-11/h2-8H,9,16H2,1H3,(H,17,18)

InChI Key

OPLXYWVBFUSFRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03773320

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-2.86

Polar Surface Area

41.054

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6067-2797 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6067-2797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6067-2797?
Check Price and Availability of 6067-2797, 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 6067-2797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6067-2797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6067-2797
  • 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 6067-2797 available by request