S428-0781 Screening compound: 3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone

S428-0781 Screening compound: 3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone
S428-0781 Screening compound: 3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0781
3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone

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

S428-0781

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone

IUPAC name

n/a

SMILES

O=C(CCC1CCCC1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1

InChI

InChI=1S/C21H33N3O3/c25-20(6-5-16-3-1-2-4-16)24-11-7-17(8-12-24)15-19-22-21(23-27-19)18-9-13-26-14-10-18/h16-18H,1-15H2

InChI Key

IIXBVFVCLRYQIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.765

Distribution Coefficient, logD

3.765

Water Solubility, LogSw

-3.89

Polar Surface Area

56.090

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S428-0781 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S428-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0781?
Check Price and Availability of S428-0781, 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 S428-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0781
  • 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 S428-0781 available by request