6228-2482 Screening compound: 1-[2-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyloxy)ethyl]piperidin-1-ium

6228-2482 Screening compound: 1-[2-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyloxy)ethyl]piperidin-1-ium
6228-2482 Screening compound: 1-[2-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyloxy)ethyl]piperidin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2482
1-[2-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyloxy)ethyl]piperidin-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

6228-2482

Molecular Formula

C22H30NO4 (C22 H30 NO4)

Compound Name

1-[2-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyloxy)ethyl]piperidin-1-ium

IUPAC name

1-[2-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyloxy)ethyl]piperidin-1-ium

SMILES

CC(C)c(cc1)ccc1OCc1ccc(C(OCC[NH+]2CCCCC2)=O)o1

InChI

InChI=1S/C22H29NO4/c1-17(2)18-6-8-19(9-7-18)26-16-20-10-11-21(27-20)22(24)25-15-14-23-12-4-3-5-13-23/h6-11,17H,3-5,12-16H2,1-2H3/p+1

InChI Key

JIPONMIMWJLZKE-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

372.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.44

Polar Surface Area

40.066

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6228-2482 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 6228-2482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2482?
Check Price and Availability of 6228-2482, 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 6228-2482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2482
  • 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 6228-2482 available by request