S614-0357 Screening compound: 2-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-phenylpiperidine-1-carboxamide

S614-0357 Screening compound: 2-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-phenylpiperidine-1-carboxamide
S614-0357 Screening compound: 2-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-phenylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0357
2-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-phenylpiperidine-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

S614-0357

Molecular Formula

C22H23FN4O3 (C22 H23 FN4 O3)

Compound Name

2-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-phenylpiperidine-1-carboxamide

IUPAC name

2-{3-[2-(4-fluorophenoxy)ethyl]-124-oxadiazol-5-yl}-N-phenylpiperidine-1-carboxamide

SMILES

O=C(Nc1ccccc1)N(CCCC1)C1c1nc(CCOc(cc2)ccc2F)no1

InChI

InChI=1S/C22H23FN4O3/c23-16-9-11-18(12-10-16)29-15-13-20-25-21(30-26-20)19-8-4-5-14-27(19)22(28)24-17-6-2-1-3-7-17/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,24,28)/t19-/m0/s1

InChI Key

ODADFDZSHCMYCM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31975397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.20

Polar Surface Area

65.216

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

S614-0357 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S614-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0357?
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What is the minimum amount of S614-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0357
  • 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 S614-0357 available by request