S595-0571 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide

S595-0571 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide
S595-0571 Screening compound: N-(3-fluoro-4-methylphenyl)-2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-0571
N-(3-fluoro-4-methylphenyl)-2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-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

S595-0571

Molecular Formula

C22H22F2N4O3 (C22 H22 F2 N4 O3)

Compound Name

N-(3-fluoro-4-methylphenyl)-2-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carboxamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidine-1-carboxamide

SMILES

Cc(ccc(NC(N(CCCC1)C1c1noc(COc(cc2)ccc2F)n1)=O)c1)c1F

InChI

InChI=1S/C22H22F2N4O3/c1-14-5-8-16(12-18(14)24)25-22(29)28-11-3-2-4-19(28)21-26-20(31-27-21)13-30-17-9-6-15(23)7-10-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,25,29)/t19-/m0/s1

InChI Key

NPYUAJDGITYVQF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29015348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.35

Polar Surface Area

63.972

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

S595-0571 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S595-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-0571?
Check Price and Availability of S595-0571, 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 S595-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-0571
  • 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 S595-0571 available by request