S428-0200 Screening compound: N~1~-isobutyl-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide

S428-0200 Screening compound: N~1~-isobutyl-3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)tetrahydro-1(2H)-pyridinecarboxamide
S428-0200 Screening compound: N~1~-isobutyl-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 S428-0200
N~1~-isobutyl-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

S428-0200

Molecular Formula

C17H28N4O3 (C17 H28 N4 O3)

Compound Name

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

IUPAC name

N-(2-methylpropyl)-3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carboxamide

SMILES

CC(C)CNC(N(CCC1)CC1c1nc(C2CCOCC2)no1)=O

InChI

InChI=1S/C17H28N4O3/c1-12(2)10-18-17(22)21-7-3-4-14(11-21)16-19-15(20-24-16)13-5-8-23-9-6-13/h12-14H,3-11H2,1-2H3,(H,18,22)/t14-/m0/s1

InChI Key

PFCFERCILQHLNU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29006631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

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

2.656

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-2.72

Polar Surface Area

66.741

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

S428-0200 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Ligand-Gated Ion Channels Library (3887 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

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S428-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0200?
Check Price and Availability of S428-0200, 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 S428-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0200
  • 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 S428-0200 available by request