SC03-0453 Screening compound: 2-(1-azepanyl)-1-{4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

SC03-0453 Screening compound: 2-(1-azepanyl)-1-{4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone
SC03-0453 Screening compound: 2-(1-azepanyl)-1-{4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC03-0453
2-(1-azepanyl)-1-{4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

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

SC03-0453

Molecular Formula

C22H36N4O4 (C22 H36 N4 O4)

Compound Name

2-(1-azepanyl)-1-{4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

IUPAC name

2-(azepan-1-yl)-1-(4-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethoxy}piperidin-1-yl)ethan-1-one

SMILES

O=C(CN1CCCCCC1)N(CC1)CCC1OCCc1noc(C2CCOCC2)n1

InChI

InChI=1S/C22H36N4O4/c27-21(17-25-10-3-1-2-4-11-25)26-12-5-19(6-13-26)29-16-9-20-23-22(30-24-20)18-7-14-28-15-8-18/h18-19H,1-17H2

InChI Key

PJVFOYWVQAUCIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.02

Polar Surface Area

68.123

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

86.36

SC03-0453 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC03-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC03-0453?
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What is the minimum amount of SC03-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC03-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC03-0453
  • 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 SC03-0453 available by request