S428-0227 Screening compound: N~1~-(4-methylbenzyl)-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

S428-0227 Screening compound: N~1~-(4-methylbenzyl)-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide
S428-0227 Screening compound: N~1~-(4-methylbenzyl)-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0227
N~1~-(4-methylbenzyl)-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

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

S428-0227

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

N~1~-(4-methylbenzyl)-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carboxamide

SMILES

Cc1ccc(CNC(N(CCC2)CC2c2nc(C3CCOCC3)no2)=O)cc1

InChI

InChI=1S/C21H28N4O3/c1-15-4-6-16(7-5-15)13-22-21(26)25-10-2-3-18(14-25)20-23-19(24-28-20)17-8-11-27-12-9-17/h4-7,17-18H,2-3,8-14H2,1H3,(H,22,26)/t18-/m0/s1

InChI Key

MBFJGDSODXWEBI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29006637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.22

Polar Surface Area

66.470

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S428-0227 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S428-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0227?
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What is the minimum amount of S428-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0227
  • 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 S428-0227 available by request