S330-4169 Screening compound: 4-[(1-benzylpiperidin-4-yl)oxy]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carboxamide

S330-4169 Screening compound: 4-[(1-benzylpiperidin-4-yl)oxy]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carboxamide
S330-4169 Screening compound: 4-[(1-benzylpiperidin-4-yl)oxy]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-4169
4-[(1-benzylpiperidin-4-yl)oxy]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carboxamide

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

S330-4169

Molecular Formula

C25H33N3O2S (C25 H33 N3 O2 S)

Compound Name

4-[(1-benzylpiperidin-4-yl)oxy]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carboxamide

IUPAC name

4-[(1-benzylpiperidin-4-yl)oxy]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carboxamide

SMILES

CSc1cc(NC(N(CC2)CCC2OC2CCN(Cc3ccccc3)CC2)=O)ccc1

InChI

InChI=1S/C25H33N3O2S/c1-31-24-9-5-8-21(18-24)26-25(29)28-16-12-23(13-17-28)30-22-10-14-27(15-11-22)19-20-6-3-2-4-7-20/h2-9,18,22-23H,10-17,19H2,1H3,(H,26,29)

InChI Key

HTZLAAWRCQNCKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-3.92

Polar Surface Area

35.216

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S330-4169 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
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

References: we are preparing a list of scientific research reports with S330-4169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-4169?
Check Price and Availability of S330-4169, 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 S330-4169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-4169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-4169
  • 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 S330-4169 available by request