6286-0451 Screening compound: 2-[(4-methoxyphenoxy)methyl]-1-(2-methylbutyl)-1H-1,3-benzodiazole

6286-0451 Screening compound: 2-[(4-methoxyphenoxy)methyl]-1-(2-methylbutyl)-1H-1,3-benzodiazole
6286-0451 Screening compound: 2-[(4-methoxyphenoxy)methyl]-1-(2-methylbutyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6286-0451
2-[(4-methoxyphenoxy)methyl]-1-(2-methylbutyl)-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

6286-0451

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

2-[(4-methoxyphenoxy)methyl]-1-(2-methylbutyl)-1H-1,3-benzodiazole

IUPAC name

2-[(4-methoxyphenoxy)methyl]-1-(2-methylbutyl)-1H-13-benzodiazole

SMILES

CCC(C)Cn1c(cccc2)c2nc1COc(cc1)ccc1OC

InChI

InChI=1S/C20H24N2O2/c1-4-15(2)13-22-19-8-6-5-7-18(19)21-20(22)14-24-17-11-9-16(23-3)10-12-17/h5-12,15H,4,13-14H2,1-3H3/t15-/m0/s1

InChI Key

NACOZGDUTOPTHQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03861422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.21

Polar Surface Area

26.186

Acid Dissociation Constant (pKa)

24.55

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

6286-0451 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6286-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6286-0451?
Check Price and Availability of 6286-0451, 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 6286-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6286-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6286-0451
  • 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 6286-0451 available by request