S794-0555 Screening compound: 3-cyclopropyl-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S794-0555 Screening compound: 3-cyclopropyl-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
S794-0555 Screening compound: 3-cyclopropyl-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S794-0555
3-cyclopropyl-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]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

S794-0555

Molecular Formula

C17H25N5O2 (C17 H25 N5 O2)

Compound Name

3-cyclopropyl-4-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

3-cyclopropyl-4-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]piperidin-4-yl}-1-methyl-45-dihydro-1H-124-triazol-5-one

SMILES

Cc1noc(C)c1CN(CC1)CCC1N(C(C1CC1)=NN1C)C1=O

InChI

InChI=1S/C17H25N5O2/c1-11-15(12(2)24-19-11)10-21-8-6-14(7-9-21)22-16(13-4-5-13)18-20(3)17(22)23/h13-14H,4-10H2,1-3H3

InChI Key

YUMNKHRULLKYSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

-0.318

Water Solubility, LogSw

-1.90

Polar Surface Area

57.420

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

S794-0555 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 S794-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S794-0555?
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What is the minimum amount of S794-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S794-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S794-0555
  • 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 S794-0555 available by request