S396-0509 Screening compound: N-(2,4-dimethylphenyl)-2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

S396-0509 Screening compound: N-(2,4-dimethylphenyl)-2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide
S396-0509 Screening compound: N-(2,4-dimethylphenyl)-2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0509
N-(2,4-dimethylphenyl)-2-[1-(1-ethyl-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

S396-0509

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-[1-(1-ethyl-6-oxo-16-dihydropyridazin-4-yl)piperidin-3-yl]acetamide

SMILES

CCN1N=CC(N2CC(CC(Nc3c(C)cc(C)cc3)=O)CCC2)=CC1=O

InChI

InChI=1S/C21H28N4O2/c1-4-25-21(27)12-18(13-22-25)24-9-5-6-17(14-24)11-20(26)23-19-8-7-15(2)10-16(19)3/h7-8,10,12-13,17H,4-6,9,11,14H2,1-3H3,(H,23,26)/t17-/m1/s1

InChI Key

CTTHVXBAGTYRCK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29003686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

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

2.764

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.01

Polar Surface Area

54.603

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

S396-0509 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)

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S396-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0509?
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What is the minimum amount of S396-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0509
  • 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 S396-0509 available by request