S425-0491 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

S425-0491 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine
S425-0491 Screening compound: 4-[2-(benzyloxy)ethoxy]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0491
4-[2-(benzyloxy)ethoxy]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

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

S425-0491

Molecular Formula

C20H26N2O3 (C20 H26 N2 O3)

Compound Name

4-[2-(benzyloxy)ethoxy]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

IUPAC name

4-[2-(benzyloxy)ethoxy]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

SMILES

Cn1c(C(N(CC2)CCC2OCCOCc2ccccc2)=O)ccc1

InChI

InChI=1S/C20H26N2O3/c1-21-11-5-8-19(21)20(23)22-12-9-18(10-13-22)25-15-14-24-16-17-6-3-2-4-7-17/h2-8,11,18H,9-10,12-16H2,1H3

InChI Key

CKBYXYVPLLULHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-2.53

Polar Surface Area

34.317

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S425-0491 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 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
  • Nervous system
  • Eye
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S425-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0491?
Check Price and Availability of S425-0491, 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 S425-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0491
  • 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 S425-0491 available by request