S383-1794 Screening compound: 3-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

S383-1794 Screening compound: 3-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
S383-1794 Screening compound: 3-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S383-1794
3-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)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

S383-1794

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

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

IUPAC name

3-[1-(35-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-45-dihydro-1H-124-triazol-5-one

SMILES

Cc1cc(C(N(CC2)CCC2C(N2Cc(cc3)ccc3OC)=NNC2=O)=O)cc(C)c1

InChI

InChI=1S/C24H28N4O3/c1-16-12-17(2)14-20(13-16)23(29)27-10-8-19(9-11-27)22-25-26-24(30)28(22)15-18-4-6-21(31-3)7-5-18/h4-7,12-14,19H,8-11,15H2,1-3H3,(H,26,30)

InChI Key

DIRXMQJHYKBNNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28805944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.07

Polar Surface Area

64.939

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S383-1794 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 S383-1794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S383-1794?
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What is the minimum amount of S383-1794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S383-1794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S383-1794
  • 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 S383-1794 available by request