6738-0057 Screening compound: N-[(4-ethylphenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine

6738-0057 Screening compound: N-[(4-ethylphenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine
6738-0057 Screening compound: N-[(4-ethylphenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0057
N-[(4-ethylphenyl)methyl]-1-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

6738-0057

Molecular Formula

C17H19N3 (C17 H19 N3)

Compound Name

N-[(4-ethylphenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(4-ethylphenyl)methyl]-1-methyl-1H-13-benzodiazol-2-amine

SMILES

CCc1ccc(CNc2nc(cccc3)c3n2C)cc1

InChI

InChI=1S/C17H19N3/c1-3-13-8-10-14(11-9-13)12-18-17-19-15-6-4-5-7-16(15)20(17)2/h4-11H,3,12H2,1-2H3,(H,18,19)

InChI Key

OBQDAEGSPHBSLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.97

Polar Surface Area

23.391

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

6738-0057 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 6738-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0057?
Check Price and Availability of 6738-0057, 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 6738-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0057
  • 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 6738-0057 available by request