S614-0561 Screening compound: 2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-methylpropyl)piperidine-1-carboxamide

S614-0561 Screening compound: 2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-methylpropyl)piperidine-1-carboxamide
S614-0561 Screening compound: 2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-methylpropyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0561
2-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-methylpropyl)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

S614-0561

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(N(CCCC1)C1c1nc(CCOc2cc(C)ccc2)no1)=O

InChI

InChI=1S/C21H30N4O3/c1-15(2)14-22-21(26)25-11-5-4-9-18(25)20-23-19(24-28-20)10-12-27-17-8-6-7-16(3)13-17/h6-8,13,15,18H,4-5,9-12,14H2,1-3H3,(H,22,26)/t18-/m0/s1

InChI Key

GKDCUTZHGQTYEP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31992885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.25

Polar Surface Area

66.809

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S614-0561 in Drug Discovery

Included in Screening Libraries

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

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 S614-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0561?
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What is the minimum amount of S614-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0561
  • 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 S614-0561 available by request