5803-0111 Screening compound: (3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)dipropylazanium

5803-0111 Screening compound: (3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)dipropylazanium
5803-0111 Screening compound: (3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)dipropylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5803-0111
(3-phenylprop-2-yn-1-yl)(prop-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

5803-0111

Molecular Formula

C18H24N (C18 H24 N)

Compound Name

(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)dipropylazanium

IUPAC name

(3-phenylprop-2-yn-1-yl)(prop-2-yn-1-yl)dipropylazanium

SMILES

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

InChI

InChI=1S/C18H24N/c1-4-14-19(15-5-2,16-6-3)17-10-13-18-11-8-7-9-12-18/h1,7-9,11-12H,5-6,14-17H2,2-3H3/q+1

InChI Key

BTLSPMPNFLAZJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00484047

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

254.4

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.54

Polar Surface Area

0.961

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

5803-0111 in Drug Discovery

Included in Screening Libraries

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 5803-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5803-0111?
Check Price and Availability of 5803-0111, 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 5803-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5803-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5803-0111
  • 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 5803-0111 available by request