S396-0538 Screening compound: 2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-(3-fluorophenyl)acetamide

S396-0538 Screening compound: 2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-(3-fluorophenyl)acetamide
S396-0538 Screening compound: 2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0538
2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-(3-fluorophenyl)acetamide

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

S396-0538

Molecular Formula

C19H23FN4O2 (C19 H23 FN4 O2)

Compound Name

2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-(3-fluorophenyl)acetamide

IUPAC name

2-[1-(1-ethyl-6-oxo-16-dihydropyridazin-4-yl)piperidin-3-yl]-N-(3-fluorophenyl)acetamide

SMILES

CCN1N=CC(N2CC(CC(Nc3cccc(F)c3)=O)CCC2)=CC1=O

InChI

InChI=1S/C19H23FN4O2/c1-2-24-19(26)11-17(12-21-24)23-8-4-5-14(13-23)9-18(25)22-16-7-3-6-15(20)10-16/h3,6-7,10-12,14H,2,4-5,8-9,13H2,1H3,(H,22,25)/t14-/m1/s1

InChI Key

BSHZCKVXERFTDA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29003700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.366

Water Solubility, LogSw

-2.97

Polar Surface Area

55.301

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S396-0538 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S396-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0538?
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What is the minimum amount of S396-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0538
  • 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 S396-0538 available by request