S595-0546 Screening compound: N,N-DIETHYL-2-{5-[(4-FLUOROPHENOXY)METHYL]-1,2,4-OXADIAZOL-3-YL}TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

S595-0546 Screening compound: N,N-DIETHYL-2-{5-[(4-FLUOROPHENOXY)METHYL]-1,2,4-OXADIAZOL-3-YL}TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE
S595-0546 Screening compound: N,N-DIETHYL-2-{5-[(4-FLUOROPHENOXY)METHYL]-1,2,4-OXADIAZOL-3-YL}TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-0546
N,N-DIETHYL-2-{5-[(4-FLUOROPHENOXY)METHYL]-1,2,4-OXADIAZOL-3-YL}TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

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

S595-0546

Molecular Formula

C19H25FN4O3 (C19 H25 FN4 O3)

Compound Name

N,N-DIETHYL-2-{5-[(4-FLUOROPHENOXY)METHYL]-1,2,4-OXADIAZOL-3-YL}TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

IUPAC name

NN-diethyl-2-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidine-1-carboxamide

SMILES

CCN(CC)C(N(CCCC1)C1c1noc(COc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C19H25FN4O3/c1-3-23(4-2)19(25)24-12-6-5-7-16(24)18-21-17(27-22-18)13-26-15-10-8-14(20)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3/t16-/m0/s1

InChI Key

OLFVUKYABPOYRU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29015347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-3.62

Polar Surface Area

56.241

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

S595-0546 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Digestive system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S595-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-0546?
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What is the minimum amount of S595-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-0546
  • 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 S595-0546 available by request