S594-0534 Screening compound: 2-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

S594-0534 Screening compound: 2-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine
S594-0534 Screening compound: 2-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0534
2-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

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

S594-0534

Molecular Formula

C20H20FN5O3 (C20 H20 FN5 O3)

Compound Name

2-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

IUPAC name

2-(4-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidine-1-carbonyl)-5-methylpyrazine

SMILES

Cc(nc1)cnc1C(N(CC1)CCC1c1noc(COc(cc2)ccc2F)n1)=O

InChI

InChI=1S/C20H20FN5O3/c1-13-10-23-17(11-22-13)20(27)26-8-6-14(7-9-26)19-24-18(29-25-19)12-28-16-4-2-15(21)3-5-16/h2-5,10-11,14H,6-9,12H2,1H3

InChI Key

PVYQZEVFEICKET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31963391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.34

Polar Surface Area

73.539

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S594-0534 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 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

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 S594-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0534?
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What is the minimum amount of S594-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0534
  • 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 S594-0534 available by request