S383-2442 Screening compound: 3-{1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one

S383-2442 Screening compound: 3-{1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
S383-2442 Screening compound: 3-{1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S383-2442
3-{1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-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

S383-2442

Molecular Formula

C22H22ClFN4O2 (C22 H22 ClFN4 O2)

Compound Name

3-{1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

3-{1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-45-dihydro-1H-124-triazol-5-one

SMILES

Cc(cc1)ccc1N(C(C(CC1)CCN1C(Cc(c(F)ccc1)c1Cl)=O)=NN1)C1=O

InChI

InChI=1S/C22H22ClFN4O2/c1-14-5-7-16(8-6-14)28-21(25-26-22(28)30)15-9-11-27(12-10-15)20(29)13-17-18(23)3-2-4-19(17)24/h2-8,15H,9-13H2,1H3,(H,26,30)

InChI Key

MROZBHZHMJGHFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.89

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

4.172

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.40

Polar Surface Area

56.257

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

S383-2442 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Immunological Library (6760 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with S383-2442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S383-2442?
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What is the minimum amount of S383-2442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S383-2442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S383-2442
  • 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 S383-2442 available by request