S396-0095 Screening compound: N-[(2-methylphenyl)methyl]-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

S396-0095 Screening compound: N-[(2-methylphenyl)methyl]-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide
S396-0095 Screening compound: N-[(2-methylphenyl)methyl]-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0095
N-[(2-methylphenyl)methyl]-2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]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

S396-0095

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNC(CC(CCC2)CN2C(C=NN2)=CC2=O)=O)cccc1

InChI

InChI=1S/C19H24N4O2/c1-14-5-2-3-7-16(14)11-20-18(24)9-15-6-4-8-23(13-15)17-10-19(25)22-21-12-17/h2-3,5,7,10,12,15H,4,6,8-9,11,13H2,1H3,(H,20,24)(H,22,25)/t15-/m1/s1

InChI Key

PIHLNXNCNJVDTO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29006879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.14

Polar Surface Area

66.302

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S396-0095 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S396-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0095?
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What is the minimum amount of S396-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0095
  • 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 S396-0095 available by request