8014-9526 Screening compound: 2-[(2-methoxyphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole

8014-9526 Screening compound: 2-[(2-methoxyphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole
8014-9526 Screening compound: 2-[(2-methoxyphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9526
2-[(2-methoxyphenoxy)methyl]-1-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

8014-9526

Molecular Formula

C16H16N2O2 (C16 H16 N2 O2)

Compound Name

2-[(2-methoxyphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-[(2-methoxyphenoxy)methyl]-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(cccc2)c2nc1COc(cccc1)c1OC

InChI

InChI=1S/C16H16N2O2/c1-18-13-8-4-3-7-12(13)17-16(18)11-20-15-10-6-5-9-14(15)19-2/h3-10H,11H2,1-2H3

InChI Key

JWVLAFDECSEOAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00761695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.905

Water Solubility, LogSw

-3.08

Polar Surface Area

27.169

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8014-9526 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS BBB Library (22607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-9526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9526?
Check Price and Availability of 8014-9526, 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 8014-9526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9526
  • 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 8014-9526 available by request