S383-2136 Screening compound: 3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S383-2136 Screening compound: 3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
S383-2136 Screening compound: 3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S383-2136
3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-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

S383-2136

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

3-[1-(34-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-45-dihydro-1H-124-triazol-5-one

SMILES

COc(ccc(C(N(CC1)CCC1C(N1c2ccccc2)=NNC1=O)=O)c1)c1OC

InChI

InChI=1S/C22H24N4O4/c1-29-18-9-8-16(14-19(18)30-2)21(27)25-12-10-15(11-13-25)20-23-24-22(28)26(20)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H,24,28)

InChI Key

KWZMKUOUYHSNAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.226

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-2.84

Polar Surface Area

72.045

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

S383-2136 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S383-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S383-2136?
Check Price and Availability of S383-2136, 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 S383-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S383-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S383-2136
  • 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 S383-2136 available by request