S559-0367 Screening compound: 4-cyclopentyl-3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S559-0367 Screening compound: 4-cyclopentyl-3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
S559-0367 Screening compound: 4-cyclopentyl-3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S559-0367
4-cyclopentyl-3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-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

S559-0367

Molecular Formula

C21H27FN4O2 (C21 H27 FN4 O2)

Compound Name

4-cyclopentyl-3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

4-cyclopentyl-3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-1-methyl-45-dihydro-1H-124-triazol-5-one

SMILES

CN1N=C(C(CC2)CCN2C(Cc2cccc(F)c2)=O)N(C2CCCC2)C1=O

InChI

InChI=1S/C21H27FN4O2/c1-24-21(28)26(18-7-2-3-8-18)20(23-24)16-9-11-25(12-10-16)19(27)14-15-5-4-6-17(22)13-15/h4-6,13,16,18H,2-3,7-12,14H2,1H3

InChI Key

BWDGEIIAOJDUGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-3.08

Polar Surface Area

47.805

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

S559-0367 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S559-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S559-0367?
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What is the minimum amount of S559-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S559-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S559-0367
  • 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 S559-0367 available by request