S428-0042 Screening compound: N~1~-(4-fluorobenzyl)-4-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

S428-0042 Screening compound: N~1~-(4-fluorobenzyl)-4-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide
S428-0042 Screening compound: N~1~-(4-fluorobenzyl)-4-(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 S428-0042
N~1~-(4-fluorobenzyl)-4-(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

S428-0042

Molecular Formula

C20H25FN4O3 (C20 H25 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc(cc1)ccc1F)N(CC1)CCC1c1nc(C2CCOCC2)no1

InChI

InChI=1S/C20H25FN4O3/c21-17-3-1-14(2-4-17)13-22-20(26)25-9-5-16(6-10-25)19-23-18(24-28-19)15-7-11-27-12-8-15/h1-4,15-16H,5-13H2,(H,22,26)

InChI Key

NBUHGOBNFCEKHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

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

2.832

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.02

Polar Surface Area

66.536

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S428-0042 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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 S428-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0042?
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What is the minimum amount of S428-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0042
  • 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 S428-0042 available by request