S614-0559 Screening compound: 2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-phenylethyl)piperidine-1-carboxamide

S614-0559 Screening compound: 2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-phenylethyl)piperidine-1-carboxamide
S614-0559 Screening compound: 2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-phenylethyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0559
2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-phenylethyl)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

S614-0559

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCCc2noc(C(CCCC3)N3C(NCCc3ccccc3)=O)n2)c1

InChI

InChI=1S/C25H30N4O3/c1-19-8-7-11-21(18-19)31-17-14-23-27-24(32-28-23)22-12-5-6-16-29(22)25(30)26-15-13-20-9-3-2-4-10-20/h2-4,7-11,18,22H,5-6,12-17H2,1H3,(H,26,30)/t22-/m0/s1

InChI Key

KVWOHGKJEWDMHK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31985944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

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

5.150

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-4.98

Polar Surface Area

66.379

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S614-0559 in Drug Discovery

Included in Screening Libraries

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

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S614-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0559?
Check Price and Availability of S614-0559, 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 S614-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0559
  • 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 S614-0559 available by request