S396-0894 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[(4-methoxyphenyl)methyl]acetamide

S396-0894 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[(4-methoxyphenyl)methyl]acetamide
S396-0894 Screening compound: 2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0894
2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[(4-methoxyphenyl)methyl]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

S396-0894

Molecular Formula

C23H30N4O3 (C23 H30 N4 O3)

Compound Name

2-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-3-yl}-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-yl]piperidin-3-yl}-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COc1ccc(CNC(CC(CCC2)CN2C(C=NN2CC3CC3)=CC2=O)=O)cc1

InChI

InChI=1S/C23H30N4O3/c1-30-21-8-6-17(7-9-21)13-24-22(28)11-19-3-2-10-26(15-19)20-12-23(29)27(25-14-20)16-18-4-5-18/h6-9,12,14,18-19H,2-5,10-11,13,15-16H2,1H3,(H,24,28)/t19-/m1/s1

InChI Key

SLJFWNSFOCWVMB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29003658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-2.81

Polar Surface Area

64.694

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

S396-0894 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Therapeutical areas:
  • Nervous system
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 S396-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0894?
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What is the minimum amount of S396-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0894
  • 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 S396-0894 available by request