5504-0078 Screening compound: (2-methoxy-2-oxoethyl)(3-phenylprop-2-yn-1-yl)dipropylazanium

5504-0078 Screening compound: (2-methoxy-2-oxoethyl)(3-phenylprop-2-yn-1-yl)dipropylazanium
5504-0078 Screening compound: (2-methoxy-2-oxoethyl)(3-phenylprop-2-yn-1-yl)dipropylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0078
(2-methoxy-2-oxoethyl)(3-phenylprop-2-yn-1-yl)dipropylazanium

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

5504-0078

Molecular Formula

C18H26NO2 (C18 H26 NO2)

Compound Name

(2-methoxy-2-oxoethyl)(3-phenylprop-2-yn-1-yl)dipropylazanium

IUPAC name

(2-methoxy-2-oxoethyl)(3-phenylprop-2-yn-1-yl)dipropylazanium

SMILES

CCC[N+](CCC)(CC(OC)=O)CC#Cc1ccccc1

InChI

InChI=1S/C18H26NO2/c1-4-13-19(14-5-2,16-18(20)21-3)15-9-12-17-10-7-6-8-11-17/h6-8,10-11H,4-5,13-16H2,1-3H3/q+1

InChI Key

FPUKMOOZLRJXRT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

288.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.95

Polar Surface Area

21.561

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5504-0078 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5504-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0078?
Check Price and Availability of 5504-0078, 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 5504-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0078
  • 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 5504-0078 available by request