0180-0422 Screening compound: [2-(4-acetylphenoxy)ethyl](benzyl)dimethylazanium

0180-0422 Screening compound: [2-(4-acetylphenoxy)ethyl](benzyl)dimethylazanium
0180-0422 Screening compound: [2-(4-acetylphenoxy)ethyl](benzyl)dimethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0422
[2-(4-acetylphenoxy)ethyl](benzyl)dimethylazanium

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

0180-0422

Molecular Formula

C19H24NO2 (C19 H24 NO2)

Compound Name

[2-(4-acetylphenoxy)ethyl](benzyl)dimethylazanium

IUPAC name

[2-(4-acetylphenoxy)ethyl](benzyl)dimethylazanium

SMILES

CC(c(cc1)ccc1OCC[N+](C)(C)Cc1ccccc1)=O

InChI

InChI=1S/C19H24NO2/c1-16(21)18-9-11-19(12-10-18)22-14-13-20(2,3)15-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3/q+1

InChI Key

XYNTVJMWYMMFOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804839

Chemical and Physical Properties

Saltdata

p-ClC6H4SO3-

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.08

Polar Surface Area

21.546

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

0180-0422 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0180-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0422?
Check Price and Availability of 0180-0422, 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 0180-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0422
  • 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 0180-0422 available by request