S330-4732 Screening compound: 4-{[1-(methylsulfonyl)-4-piperidyl]oxy}-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyridinecarboxamide

S330-4732 Screening compound: 4-{[1-(methylsulfonyl)-4-piperidyl]oxy}-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyridinecarboxamide
S330-4732 Screening compound: 4-{[1-(methylsulfonyl)-4-piperidyl]oxy}-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-4732
4-{[1-(methylsulfonyl)-4-piperidyl]oxy}-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyridinecarboxamide

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

S330-4732

Molecular Formula

C19H26F3N3O4S (C19 H26 F3 N3 O4 S)

Compound Name

4-{[1-(methylsulfonyl)-4-piperidyl]oxy}-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

SMILES

CS(N(CC1)CCC1OC(CC1)CCN1C(Nc1cc(C(F)(F)F)ccc1)=O)(=O)=O

InChI

InChI=1S/C19H26F3N3O4S/c1-30(27,28)25-11-7-17(8-12-25)29-16-5-9-24(10-6-16)18(26)23-15-4-2-3-14(13-15)19(20,21)22/h2-4,13,16-17H,5-12H2,1H3,(H,23,26)

InChI Key

AEWIQNPEPKOYCE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-3.08

Polar Surface Area

62.958

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

S330-4732 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S330-4732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-4732?
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What is the minimum amount of S330-4732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-4732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-4732
  • 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 S330-4732 available by request