S614-0168 Screening compound: N-benzyl-2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carboxamide

S614-0168 Screening compound: N-benzyl-2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carboxamide
S614-0168 Screening compound: N-benzyl-2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0168
N-benzyl-2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carboxamide

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

S614-0168

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

N-benzyl-2-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine-1-carboxamide

IUPAC name

N-benzyl-2-{3-[2-(benzyloxy)ethyl]-124-oxadiazol-5-yl}piperidine-1-carboxamide

SMILES

O=C(NCc1ccccc1)N(CCCC1)C1c1nc(CCOCc2ccccc2)no1

InChI

InChI=1S/C24H28N4O3/c29-24(25-17-19-9-3-1-4-10-19)28-15-8-7-13-21(28)23-26-22(27-31-23)14-16-30-18-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,25,29)/t21-/m0/s1

InChI Key

DDWISWFMEDEJNO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31975108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-3.94

Polar Surface Area

67.473

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S614-0168 in Drug Discovery

Included in Screening Libraries

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 S614-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0168?
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What is the minimum amount of S614-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0168
  • 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 S614-0168 available by request