5504-0111 Screening compound: benzyl[2-(4-chlorophenyl)-2-oxoethyl]diethylazanium

5504-0111 Screening compound: benzyl[2-(4-chlorophenyl)-2-oxoethyl]diethylazanium
5504-0111 Screening compound: benzyl[2-(4-chlorophenyl)-2-oxoethyl]diethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0111
benzyl[2-(4-chlorophenyl)-2-oxoethyl]diethylazanium

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

5504-0111

Molecular Formula

C19H23ClNO (C19 H23 ClNO)

Compound Name

benzyl[2-(4-chlorophenyl)-2-oxoethyl]diethylazanium

IUPAC name

benzyl[2-(4-chlorophenyl)-2-oxoethyl]diethylazanium

SMILES

CC[N+](CC)(CC(c(cc1)ccc1Cl)=O)Cc1ccccc1

InChI

InChI=1S/C19H23ClNO/c1-3-21(4-2,14-16-8-6-5-7-9-16)15-19(22)17-10-12-18(20)13-11-17/h5-13H,3-4,14-15H2,1-2H3/q+1

InChI Key

MBTNCHZSWIVUSV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

316.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.63

Polar Surface Area

13.472

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 5504-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0111?
Check Price and Availability of 5504-0111, 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 5504-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0111
  • 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 5504-0111 available by request