S383-2144 Screening compound: 3-{1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S383-2144 Screening compound: 3-{1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
S383-2144 Screening compound: 3-{1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S383-2144
3-{1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]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

S383-2144

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

3-{1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

3-{1-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl}-4-phenyl-45-dihydro-1H-124-triazol-5-one

SMILES

O=C(/C=C/c(cc1)ccc1Cl)N(CC1)CCC1C(N1c2ccccc2)=NNC1=O

InChI

InChI=1S/C22H21ClN4O2/c23-18-9-6-16(7-10-18)8-11-20(28)26-14-12-17(13-15-26)21-24-25-22(29)27(21)19-4-2-1-3-5-19/h1-11,17H,12-15H2,(H,25,29)

InChI Key

CYTQGRUFHJGPDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.954

Water Solubility, LogSw

-4.74

Polar Surface Area

56.257

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

S383-2144 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • 3D
  • Fragments
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S383-2144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S383-2144?
Check Price and Availability of S383-2144, 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 S383-2144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S383-2144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S383-2144
  • 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 S383-2144 available by request