S594-1259 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

S594-1259 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
S594-1259 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-1259
1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

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

S594-1259

Molecular Formula

C26H26FN5O5 (C26 H26 FN5 O5)

Compound Name

1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

IUPAC name

1-(4-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidin-1-yl)-3-[3-(2-methoxyphenyl)-124-oxadiazol-5-yl]propan-1-one

SMILES

COc(cccc1)c1-c1noc(CCC(N(CC2)CCC2c2noc(COc(cc3)ccc3F)n2)=O)n1

InChI

InChI=1S/C26H26FN5O5/c1-34-21-5-3-2-4-20(21)26-28-22(36-31-26)10-11-24(33)32-14-12-17(13-15-32)25-29-23(37-30-25)16-35-19-8-6-18(27)7-9-19/h2-9,17H,10-16H2,1H3

InChI Key

SJYKNBPFBRLKHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31992790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-3.94

Polar Surface Area

93.903

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

S594-1259 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S594-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-1259?
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What is the minimum amount of S594-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-1259
  • 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 S594-1259 available by request