S425-0485 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-cyclopentanecarbonylpiperidine

S425-0485 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-cyclopentanecarbonylpiperidine
S425-0485 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-cyclopentanecarbonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0485
4-[2-(benzyloxy)ethoxy]-1-cyclopentanecarbonylpiperidine

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

S425-0485

Molecular Formula

C20H29NO3 (C20 H29 NO3)

Compound Name

4-[2-(benzyloxy)ethoxy]-1-cyclopentanecarbonylpiperidine

IUPAC name

4-[2-(benzyloxy)ethoxy]-1-cyclopentanecarbonylpiperidine

SMILES

O=C(C1CCCC1)N(CC1)CCC1OCCOCc1ccccc1

InChI

InChI=1S/C20H29NO3/c22-20(18-8-4-5-9-18)21-12-10-19(11-13-21)24-15-14-23-16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2

InChI Key

NXPCPEWRULDOMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-2.84

Polar Surface Area

32.458

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S425-0485 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S425-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0485?
Check Price and Availability of S425-0485, 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 S425-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0485
  • 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 S425-0485 available by request