S425-0517 Screening compound: {4-[2-(benzyloxy)ethoxy]piperidino}(2-furyl)methanone

S425-0517 Screening compound: {4-[2-(benzyloxy)ethoxy]piperidino}(2-furyl)methanone
S425-0517 Screening compound: {4-[2-(benzyloxy)ethoxy]piperidino}(2-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0517
{4-[2-(benzyloxy)ethoxy]piperidino}(2-furyl)methanone

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

S425-0517

Molecular Formula

C19H23NO4 (C19 H23 NO4)

Compound Name

{4-[2-(benzyloxy)ethoxy]piperidino}(2-furyl)methanone

IUPAC name

4-[2-(benzyloxy)ethoxy]-1-(furan-2-carbonyl)piperidine

SMILES

O=C(c1ccco1)N(CC1)CCC1OCCOCc1ccccc1

InChI

InChI=1S/C19H23NO4/c21-19(18-7-4-12-24-18)20-10-8-17(9-11-20)23-14-13-22-15-16-5-2-1-3-6-16/h1-7,12,17H,8-11,13-15H2

InChI Key

VKJVNWZESVJTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-1.79

Polar Surface Area

40.478

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

S425-0517 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S425-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0517?
Check Price and Availability of S425-0517, 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 S425-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0517
  • 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 S425-0517 available by request