S559-0357 Screening compound: 4-cyclopentyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S559-0357 Screening compound: 4-cyclopentyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
S559-0357 Screening compound: 4-cyclopentyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S559-0357
4-cyclopentyl-3-[1-(2-methoxybenzoyl)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

S559-0357

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

4-cyclopentyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

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

SMILES

CN1N=C(C(CC2)CCN2C(c(cccc2)c2OC)=O)N(C2CCCC2)C1=O

InChI

InChI=1S/C21H28N4O3/c1-23-21(27)25(16-7-3-4-8-16)19(22-23)15-11-13-24(14-12-15)20(26)17-9-5-6-10-18(17)28-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3

InChI Key

PRANJWFTMZYBNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.612

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-3.01

Polar Surface Area

55.963

Acid Dissociation Constant (pKa)

23.32

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

S559-0357 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 S559-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S559-0357?
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What is the minimum amount of S559-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S559-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S559-0357
  • 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 S559-0357 available by request