S330-0780 Screening compound: 4-[(1-methylpiperidin-4-yl)oxy]-1-[4-(trifluoromethyl)benzoyl]piperidine

S330-0780 Screening compound: 4-[(1-methylpiperidin-4-yl)oxy]-1-[4-(trifluoromethyl)benzoyl]piperidine
S330-0780 Screening compound: 4-[(1-methylpiperidin-4-yl)oxy]-1-[4-(trifluoromethyl)benzoyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-0780
4-[(1-methylpiperidin-4-yl)oxy]-1-[4-(trifluoromethyl)benzoyl]piperidine

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

S330-0780

Molecular Formula

C19H25F3N2O2 (C19 H25 F3 N2 O2)

Compound Name

4-[(1-methylpiperidin-4-yl)oxy]-1-[4-(trifluoromethyl)benzoyl]piperidine

IUPAC name

4-[(1-methylpiperidin-4-yl)oxy]-1-[4-(trifluoromethyl)benzoyl]piperidine

SMILES

CN(CC1)CCC1OC(CC1)CCN1C(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C19H25F3N2O2/c1-23-10-6-16(7-11-23)26-17-8-12-24(13-9-17)18(25)14-2-4-15(5-3-14)19(20,21)22/h2-5,16-17H,6-13H2,1H3

InChI Key

JUTRKGPDBSFXHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

-0.313

Water Solubility, LogSw

-2.10

Polar Surface Area

26.331

Acid Dissociation Constant (pKa)

27.77

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

S330-0780 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

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

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S330-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-0780?
Check Price and Availability of S330-0780, 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 S330-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-0780
  • 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 S330-0780 available by request