S426-0845 Screening compound: 3-(3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine

S426-0845 Screening compound: 3-(3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine
S426-0845 Screening compound: 3-(3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S426-0845
3-(3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine

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

S426-0845

Molecular Formula

C23H26N4O5 (C23 H26 N4 O5)

Compound Name

3-(3-{5-[(benzyloxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-2,6-dimethoxypyridine

IUPAC name

3-(3-{5-[(benzyloxy)methyl]-124-oxadiazol-3-yl}piperidine-1-carbonyl)-26-dimethoxypyridine

SMILES

COc(cc1)nc(OC)c1C(N(CCC1)CC1c1noc(COCc2ccccc2)n1)=O

InChI

InChI=1S/C23H26N4O5/c1-29-19-11-10-18(22(25-19)30-2)23(28)27-12-6-9-17(13-27)21-24-20(32-26-21)15-31-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3/t17-/m0/s1

InChI Key

HQPZUCFZHUHCAL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29005331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.99

Polar Surface Area

80.687

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

S426-0845 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S426-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S426-0845?
Check Price and Availability of S426-0845, 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 S426-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S426-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S426-0845
  • 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 S426-0845 available by request