S330-0065 Screening compound: 1-{4-[(1-ISOPENTYL-4-PIPERIDYL)OXY]PIPERIDINO}-1-PROPANONE

S330-0065 Screening compound: 1-{4-[(1-ISOPENTYL-4-PIPERIDYL)OXY]PIPERIDINO}-1-PROPANONE
S330-0065 Screening compound: 1-{4-[(1-ISOPENTYL-4-PIPERIDYL)OXY]PIPERIDINO}-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-0065
1-{4-[(1-ISOPENTYL-4-PIPERIDYL)OXY]PIPERIDINO}-1-PROPANONE

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

S330-0065

Molecular Formula

C18H34N2O2 (C18 H34 N2 O2)

Compound Name

1-{4-[(1-ISOPENTYL-4-PIPERIDYL)OXY]PIPERIDINO}-1-PROPANONE

IUPAC name

1-(4-{[1-(3-methylbutyl)piperidin-4-yl]oxy}piperidin-1-yl)propan-1-one

SMILES

CCC(N(CC1)CCC1OC1CCN(CCC(C)C)CC1)=O

InChI

InChI=1S/C18H34N2O2/c1-4-18(21)20-13-8-17(9-14-20)22-16-6-11-19(12-7-16)10-5-15(2)3/h15-17H,4-14H2,1-3H3

InChI Key

IUJNPTAFIPXMBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

-0.081

Water Solubility, LogSw

-1.96

Polar Surface Area

26.389

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.44

S330-0065 in Drug Discovery

Included in Screening Libraries

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

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S330-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-0065?
Check Price and Availability of S330-0065, 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 S330-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-0065
  • 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 S330-0065 available by request