S594-1278 Screening compound: 1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine

S594-1278 Screening compound: 1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine
S594-1278 Screening compound: 1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-1278
1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine

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

S594-1278

Molecular Formula

C25H25FN4O5 (C25 H25 FN4 O5)

Compound Name

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

IUPAC name

1-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}-4-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidine

SMILES

Cc1noc(C)c1Cc1ccc(C(N(CC2)CCC2c2noc(COc(cc3)ccc3F)n2)=O)o1

InChI

InChI=1S/C25H25FN4O5/c1-15-21(16(2)34-28-15)13-20-7-8-22(33-20)25(31)30-11-9-17(10-12-30)24-27-23(35-29-24)14-32-19-5-3-18(26)4-6-19/h3-8,17H,9-14H2,1-2H3

InChI Key

KUTIRHQLNYSEJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31962861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.11

Polar Surface Area

85.065

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

S594-1278 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S594-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-1278?
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What is the minimum amount of S594-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-1278
  • 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 S594-1278 available by request