S427-0417 Screening compound: 1H-indol-5-yl(3-{[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone

S427-0417 Screening compound: 1H-indol-5-yl(3-{[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone
S427-0417 Screening compound: 1H-indol-5-yl(3-{[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0417
1H-indol-5-yl(3-{[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone

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

S427-0417

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

1H-indol-5-yl(3-{[5-(2-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1[nH]cc2)N1CC(Cc2noc(-c3ncccc3)n2)CCC1

InChI

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

InChI Key

QZWVEWVBMYPVCV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29008311

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

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.10

Polar Surface Area

68.045

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

S427-0417 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S427-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0417?
Check Price and Availability of S427-0417, 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 S427-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0417
  • 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 S427-0417 available by request