5267-0047 Screening compound: 1-hexyl-2-[(4-methoxyphenoxy)methyl]-1H-1,3-benzodiazole

5267-0047 Screening compound: 1-hexyl-2-[(4-methoxyphenoxy)methyl]-1H-1,3-benzodiazole
5267-0047 Screening compound: 1-hexyl-2-[(4-methoxyphenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5267-0047
1-hexyl-2-[(4-methoxyphenoxy)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

5267-0047

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCn1c(cccc2)c2nc1COc(cc1)ccc1OC

InChI

InChI=1S/C21H26N2O2/c1-3-4-5-8-15-23-20-10-7-6-9-19(20)22-21(23)16-25-18-13-11-17(24-2)12-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3

InChI Key

QTXKCEURGWXWMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02858802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.799

Distribution Coefficient, logD

5.799

Water Solubility, LogSw

-5.50

Polar Surface Area

26.165

Acid Dissociation Constant (pKa)

24.50

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 5267-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5267-0047?
Check Price and Availability of 5267-0047, 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 5267-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5267-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5267-0047
  • 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 5267-0047 available by request