S614-0127 Screening compound: 4-[(2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)methyl]benzonitrile

S614-0127 Screening compound: 4-[(2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)methyl]benzonitrile
S614-0127 Screening compound: 4-[(2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0127
4-[(2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)methyl]benzonitrile

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

S614-0127

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

4-[(2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)methyl]benzonitrile

IUPAC name

4-[(2-{3-[2-(benzyloxy)ethyl]-124-oxadiazol-5-yl}piperidin-1-yl)methyl]benzonitrile

SMILES

N#Cc1ccc(CN(CCCC2)C2c2nc(CCOCc3ccccc3)no2)cc1

InChI

InChI=1S/C24H26N4O2/c25-16-19-9-11-20(12-10-19)17-28-14-5-4-8-22(28)24-26-23(27-30-24)13-15-29-18-21-6-2-1-3-7-21/h1-3,6-7,9-12,22H,4-5,8,13-15,17-18H2/t22-/m0/s1

InChI Key

DIGBMYGWDRTZOG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31974701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-4.26

Polar Surface Area

61.636

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S614-0127 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S614-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0127?
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What is the minimum amount of S614-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0127
  • 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 S614-0127 available by request