2228-0244 Screening compound: 1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-amine

2228-0244 Screening compound: 1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-amine
2228-0244 Screening compound: 1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2228-0244
1-[2-(3-methylphenoxy)ethyl]-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

2228-0244

Molecular Formula

C16H17N3O (C16 H17 N3 O)

Compound Name

1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-amine

SMILES

Cc1cccc(OCCn2c(N)nc3c2cccc3)c1

InChI

InChI=1S/C16H17N3O/c1-12-5-4-6-13(11-12)20-10-9-19-15-8-3-2-7-14(15)18-16(19)17/h2-8,11H,9-10H2,1H3,(H2,17,18)

InChI Key

WSEGUZYVVVHEMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.97

Polar Surface Area

38.325

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2228-0244 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2228-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2228-0244?
Check Price and Availability of 2228-0244, 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 2228-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2228-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2228-0244
  • 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 2228-0244 available by request