6117-0160 Screening compound: 1-[2-(4-methoxybenzoyloxy)ethyl]-1-methylpiperidin-1-ium

6117-0160 Screening compound: 1-[2-(4-methoxybenzoyloxy)ethyl]-1-methylpiperidin-1-ium
6117-0160 Screening compound: 1-[2-(4-methoxybenzoyloxy)ethyl]-1-methylpiperidin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6117-0160
1-[2-(4-methoxybenzoyloxy)ethyl]-1-methylpiperidin-1-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

6117-0160

Molecular Formula

C16H24NO3 (C16 H24 NO3)

Compound Name

1-[2-(4-methoxybenzoyloxy)ethyl]-1-methylpiperidin-1-ium

IUPAC name

1-[2-(4-methoxybenzoyloxy)ethyl]-1-methylpiperidin-1-ium

SMILES

C[N+]1(CCOC(c(cc2)ccc2OC)=O)CCCCC1

InChI

InChI=1S/C16H24NO3/c1-17(10-4-3-5-11-17)12-13-20-16(18)14-6-8-15(19-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3/q+1

InChI Key

BICHAAWFBSPJHO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

278.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.04

Polar Surface Area

29.215

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

6117-0160 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6117-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6117-0160?
Check Price and Availability of 6117-0160, 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 6117-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6117-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6117-0160
  • 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 6117-0160 available by request