4636-0015 Screening compound: diethyl(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)azanium

4636-0015 Screening compound: diethyl(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)azanium
4636-0015 Screening compound: diethyl(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4636-0015
diethyl(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)azanium

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

4636-0015

Molecular Formula

C16H20N (C16 H20 N)

Compound Name

diethyl(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)azanium

IUPAC name

diethyl(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)azanium

SMILES

CC[N+](CC)(CC#C)CC#Cc1ccccc1

InChI

InChI=1S/C16H20N/c1-4-14-17(5-2,6-3)15-10-13-16-11-8-7-9-12-16/h1,7-9,11-12H,5-6,14-15H2,2-3H3/q+1

InChI Key

DKQZGWKDCSGIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00995706

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

226.34

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-3.93

Polar Surface Area

0.453

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4636-0015 in Drug Discovery

Included in Screening Libraries

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:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4636-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4636-0015?
Check Price and Availability of 4636-0015, 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 4636-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4636-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4636-0015
  • 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 4636-0015 available by request