8018-1725 Screening compound: 1,3-benzodioxol-5-yl (4-piperidyl) ether

8018-1725 Screening compound: 1,3-benzodioxol-5-yl (4-piperidyl) ether
8018-1725 Screening compound: 1,3-benzodioxol-5-yl (4-piperidyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1725
1,3-benzodioxol-5-yl (4-piperidyl) ether

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

8018-1725

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

1,3-benzodioxol-5-yl (4-piperidyl) ether

IUPAC name

4-(2H-13-benzodioxol-5-yloxy)piperidine

SMILES

C1Oc(cc(cc2)OC3CCNCC3)c2O1

InChI

InChI=1S/C12H15NO3/c1-2-11-12(15-8-14-11)7-10(1)16-9-3-5-13-6-4-9/h1-2,7,9,13H,3-6,8H2

InChI Key

ARQNAYWIXWXEDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06809652

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.850

Distribution Coefficient, logD

-2.008

Water Solubility, LogSw

-1.63

Polar Surface Area

35.768

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8018-1725 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-1725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1725?
Check Price and Availability of 8018-1725, 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 8018-1725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1725
  • 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 8018-1725 available by request