6738-0064 Screening compound: N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine

6738-0064 Screening compound: N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine
6738-0064 Screening compound: N-[(3-methoxyphenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0064
N-[(3-methoxyphenyl)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

6738-0064

Molecular Formula

C16H17N3O (C16 H17 N3 O)

Compound Name

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

IUPAC name

N-[(3-methoxyphenyl)methyl]-1-methyl-1H-13-benzodiazol-2-amine

SMILES

Cn1c(NCc2cccc(OC)c2)nc2c1cccc2

InChI

InChI=1S/C16H17N3O/c1-19-15-9-4-3-8-14(15)18-16(19)17-11-12-6-5-7-13(10-12)20-2/h3-10H,11H2,1-2H3,(H,17,18)

InChI Key

KXIBYJTZORXMHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04031097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-3.24

Polar Surface Area

30.934

Acid Dissociation Constant (pKa)

19.45

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

6738-0064 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6738-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0064?
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What is the minimum amount of 6738-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0064
  • 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 6738-0064 available by request