5504-0103 Screening compound: [2-(4-chlorophenyl)-2-oxoethyl]dimethyl(prop-2-yn-1-yl)azanium

5504-0103 Screening compound: [2-(4-chlorophenyl)-2-oxoethyl]dimethyl(prop-2-yn-1-yl)azanium
5504-0103 Screening compound: [2-(4-chlorophenyl)-2-oxoethyl]dimethyl(prop-2-yn-1-yl)azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0103
[2-(4-chlorophenyl)-2-oxoethyl]dimethyl(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

5504-0103

Molecular Formula

C13H15ClNO (C13 H15 ClNO)

Compound Name

[2-(4-chlorophenyl)-2-oxoethyl]dimethyl(prop-2-yn-1-yl)azanium

IUPAC name

[2-(4-chlorophenyl)-2-oxoethyl]dimethyl(prop-2-yn-1-yl)azanium

SMILES

C[N+](C)(CC(c(cc1)ccc1Cl)=O)CC#C

InChI

InChI=1S/C13H15ClNO/c1-4-9-15(2,3)10-13(16)11-5-7-12(14)8-6-11/h1,5-8H,9-10H2,2-3H3/q+1

InChI Key

QBYVKXZWZOXOSV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

236.72

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.430

Distribution Coefficient, logD

2.430

Water Solubility, LogSw

-3.09

Polar Surface Area

13.820

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

5504-0103 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5504-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0103?
Check Price and Availability of 5504-0103, 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 5504-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0103
  • 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 5504-0103 available by request