S794-0154 Screening compound: 4-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S794-0154 Screening compound: 4-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
S794-0154 Screening compound: 4-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S794-0154
4-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,3-dimethyl-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

S794-0154

Molecular Formula

C15H22N6O2 (C15 H22 N6 O2)

Compound Name

4-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

4-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-13-dimethyl-45-dihydro-1H-124-triazol-5-one

SMILES

CCn1nccc1C(N(CC1)CCC1N(C(C)=NN1C)C1=O)=O

InChI

InChI=1S/C15H22N6O2/c1-4-20-13(5-8-16-20)14(22)19-9-6-12(7-10-19)21-11(2)17-18(3)15(21)23/h5,8,12H,4,6-7,9-10H2,1-3H3

InChI Key

SPDXBCYZLNCMLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.614

Distribution Coefficient, logD

0.614

Water Solubility, LogSw

-1.07

Polar Surface Area

59.899

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S794-0154 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S794-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S794-0154?
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What is the minimum amount of S794-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S794-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S794-0154
  • 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 S794-0154 available by request