5267-0336 Screening compound: 4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]aniline

5267-0336 Screening compound: 4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]aniline
5267-0336 Screening compound: 4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5267-0336
4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]aniline

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

5267-0336

Molecular Formula

C21H19N3O (C21 H19 N3 O)

Compound Name

4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]aniline

IUPAC name

4-[1-(2-phenoxyethyl)-1H-13-benzodiazol-2-yl]aniline

SMILES

Nc(cc1)ccc1-c1nc(cccc2)c2n1CCOc1ccccc1

InChI

InChI=1S/C21H19N3O/c22-17-12-10-16(11-13-17)21-23-19-8-4-5-9-20(19)24(21)14-15-25-18-6-2-1-3-7-18/h1-13H,14-15,22H2

InChI Key

LNIOWHUNCGJTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03130265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.563

Distribution Coefficient, logD

4.563

Water Solubility, LogSw

-4.63

Polar Surface Area

38.098

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

5267-0336 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5267-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5267-0336?
Check Price and Availability of 5267-0336, 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 5267-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5267-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5267-0336
  • 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 5267-0336 available by request