S330-4191 Screening compound: 1-{4-[(1-BENZYL-4-PIPERIDYL)OXY]PIPERIDINO}-2-(4-FLUOROPHENYL)-1-ETHANONE

S330-4191 Screening compound: 1-{4-[(1-BENZYL-4-PIPERIDYL)OXY]PIPERIDINO}-2-(4-FLUOROPHENYL)-1-ETHANONE
S330-4191 Screening compound: 1-{4-[(1-BENZYL-4-PIPERIDYL)OXY]PIPERIDINO}-2-(4-FLUOROPHENYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-4191
1-{4-[(1-BENZYL-4-PIPERIDYL)OXY]PIPERIDINO}-2-(4-FLUOROPHENYL)-1-ETHANONE

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

S330-4191

Molecular Formula

C25H31FN2O2 (C25 H31 FN2 O2)

Compound Name

1-{4-[(1-BENZYL-4-PIPERIDYL)OXY]PIPERIDINO}-2-(4-FLUOROPHENYL)-1-ETHANONE

IUPAC name

n/a

SMILES

O=C(Cc(cc1)ccc1F)N(CC1)CCC1OC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H31FN2O2/c26-22-8-6-20(7-9-22)18-25(29)28-16-12-24(13-17-28)30-23-10-14-27(15-11-23)19-21-4-2-1-3-5-21/h1-9,23-24H,10-19H2

InChI Key

DCSJZFRIIZXRKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.53

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

3.223

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-3.13

Polar Surface Area

25.867

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S330-4191 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S330-4191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-4191?
Check Price and Availability of S330-4191, 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 S330-4191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-4191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-4191
  • 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 S330-4191 available by request