S427-0235 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-{3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}propan-1-one

S427-0235 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-{3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}propan-1-one
S427-0235 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-1-{3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0235
3-(1H-1,3-benzodiazol-2-yl)-1-{3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}propan-1-one

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

S427-0235

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-1-{3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}propan-1-one

IUPAC name

3-(1H-13-benzodiazol-2-yl)-1-{3-[(5-phenyl-124-oxadiazol-3-yl)methyl]piperidin-1-yl}propan-1-one

SMILES

O=C(CCc1nc(cccc2)c2[nH]1)N1CC(Cc2noc(-c3ccccc3)n2)CCC1

InChI

InChI=1S/C24H25N5O2/c30-23(13-12-21-25-19-10-4-5-11-20(19)26-21)29-14-6-7-17(16-29)15-22-27-24(31-28-22)18-8-2-1-3-9-18/h1-5,8-11,17H,6-7,12-16H2,(H,25,26)/t17-/m1/s1

InChI Key

YTAPFNKBMCHHNY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29006536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-4.26

Polar Surface Area

68.971

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S427-0235 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

PI3K-Targeted Library (17255 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:
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S427-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0235?
Check Price and Availability of S427-0235, 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 S427-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0235
  • 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 S427-0235 available by request