S383-2353 Screening compound: 4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

S383-2353 Screening compound: 4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
S383-2353 Screening compound: 4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S383-2353
4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

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

S383-2353

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

IUPAC name

4-{4-[4-(4-methylphenyl)-5-oxo-45-dihydro-1H-124-triazol-3-yl]piperidine-1-carbonyl}benzonitrile

SMILES

Cc(cc1)ccc1N(C(C(CC1)CCN1C(c(cc1)ccc1C#N)=O)=NN1)C1=O

InChI

InChI=1S/C22H21N5O2/c1-15-2-8-19(9-3-15)27-20(24-25-22(27)29)17-10-12-26(13-11-17)21(28)18-6-4-16(14-23)5-7-18/h2-9,17H,10-13H2,1H3,(H,25,29)

InChI Key

CNEWLADHQHDGED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28805868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-3.10

Polar Surface Area

73.840

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

S383-2353 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)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
Targets:
  • Nuclear receptors
  • Others

References: we are preparing a list of scientific research reports with S383-2353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S383-2353?
Check Price and Availability of S383-2353, 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 S383-2353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S383-2353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S383-2353
  • 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 S383-2353 available by request