5504-0107 Screening compound: 4-(2-oxo-2-phenylethyl)-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium

5504-0107 Screening compound: 4-(2-oxo-2-phenylethyl)-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium
5504-0107 Screening compound: 4-(2-oxo-2-phenylethyl)-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0107
4-(2-oxo-2-phenylethyl)-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium

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

5504-0107

Molecular Formula

C21H22NO2 (C21 H22 NO2)

Compound Name

4-(2-oxo-2-phenylethyl)-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium

IUPAC name

4-(2-oxo-2-phenylethyl)-4-(3-phenylprop-2-yn-1-yl)morpholin-4-ium

SMILES

O=C(C[N+]1(CC#Cc2ccccc2)CCOCC1)c1ccccc1

InChI

InChI=1S/C21H22NO2/c23-21(20-11-5-2-6-12-20)18-22(14-16-24-17-15-22)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,13-18H2/q+1

InChI Key

HMPRMGSAFZGPQY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.27

Polar Surface Area

22.021

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5504-0107 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 5504-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0107?
Check Price and Availability of 5504-0107, 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 5504-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0107
  • 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 5504-0107 available by request