3357-0462 Screening compound: 1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine

3357-0462 Screening compound: 1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine
3357-0462 Screening compound: 1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3357-0462
1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine

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

3357-0462

Molecular Formula

C15H15N3 (C15 H15 N3)

Compound Name

1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-amine

SMILES

Cc1c(Cn2c(N)nc3c2cccc3)cccc1

InChI

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

InChI Key

IYSAPXLMYUJKGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826549

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-4.05

Polar Surface Area

30.929

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

3357-0462 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3357-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3357-0462?
Check Price and Availability of 3357-0462, 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 3357-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3357-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3357-0462
  • 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 3357-0462 available by request