5228-0421 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-(2-ethoxyethyl)-1H-1,3-benzodiazole

5228-0421 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-(2-ethoxyethyl)-1H-1,3-benzodiazole
5228-0421 Screening compound: 2-[(4-tert-butylphenoxy)methyl]-1-(2-ethoxyethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-0421
2-[(4-tert-butylphenoxy)methyl]-1-(2-ethoxyethyl)-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

5228-0421

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

2-[(4-tert-butylphenoxy)methyl]-1-(2-ethoxyethyl)-1H-1,3-benzodiazole

IUPAC name

2-[(4-tert-butylphenoxy)methyl]-1-(2-ethoxyethyl)-1H-13-benzodiazole

SMILES

CCOCCn1c(cccc2)c2nc1COc1ccc(C(C)(C)C)cc1

InChI

InChI=1S/C22H28N2O2/c1-5-25-15-14-24-20-9-7-6-8-19(20)23-21(24)16-26-18-12-10-17(11-13-18)22(2,3)4/h6-13H,5,14-16H2,1-4H3

InChI Key

JOMBDKGNPFZLRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03669268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.589

Distribution Coefficient, logD

5.589

Water Solubility, LogSw

-5.64

Polar Surface Area

26.598

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

5228-0421 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5228-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-0421?
Check Price and Availability of 5228-0421, 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 5228-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-0421
  • 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 5228-0421 available by request