S794-0375 Screening compound: 3-cyclopropyl-4-[1-(4-methoxybenzoyl)piperidin-4-yl]-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S794-0375 Screening compound: 3-cyclopropyl-4-[1-(4-methoxybenzoyl)piperidin-4-yl]-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
S794-0375 Screening compound: 3-cyclopropyl-4-[1-(4-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 S794-0375
3-cyclopropyl-4-[1-(4-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

S794-0375

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CN1N=C(C2CC2)N(C(CC2)CCN2C(c(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C19H24N4O3/c1-21-19(25)23(17(20-21)13-3-4-13)15-9-11-22(12-10-15)18(24)14-5-7-16(26-2)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3

InChI Key

VVPQWGOTJRPFTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

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

2.410

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-2.30

Polar Surface Area

55.841

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

S794-0375 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 S794-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S794-0375?
Check Price and Availability of S794-0375, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S794-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S794-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S794-0375
  • 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 S794-0375 available by request