S427-0416 Screening compound: 6-(3-{[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1-carbonyl)-1H-indole

S427-0416 Screening compound: 6-(3-{[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1-carbonyl)-1H-indole
S427-0416 Screening compound: 6-(3-{[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1-carbonyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0416
6-(3-{[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1-carbonyl)-1H-indole

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

S427-0416

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

6-(3-{[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-1-carbonyl)-1H-indole

IUPAC name

6-(3-{[5-(pyridin-2-yl)-124-oxadiazol-3-yl]methyl}piperidine-1-carbonyl)-1H-indole

SMILES

O=C(c1cc([nH]cc2)c2cc1)N1CC(Cc2noc(-c3ncccc3)n2)CCC1

InChI

InChI=1S/C22H21N5O2/c28-22(17-7-6-16-8-10-24-19(16)13-17)27-11-3-4-15(14-27)12-20-25-21(29-26-20)18-5-1-2-9-23-18/h1-2,5-10,13,15,24H,3-4,11-12,14H2/t15-/m1/s1

InChI Key

HGHUAXGYPYCRTL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29006550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.19

Polar Surface Area

68.045

Acid Dissociation Constant (pKa)

17.71

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

S427-0416 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S427-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0416?
Check Price and Availability of S427-0416, 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 S427-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0416
  • 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 S427-0416 available by request