P636-0429 Screening compound: 5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzyl-2,3-dihydropyridazin-3-one

P636-0429 Screening compound: 5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzyl-2,3-dihydropyridazin-3-one
P636-0429 Screening compound: 5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzyl-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P636-0429
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzyl-2,3-dihydropyridazin-3-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

P636-0429

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzyl-2,3-dihydropyridazin-3-one

IUPAC name

5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzyl-23-dihydropyridazin-3-one

SMILES

O=C(C(CC1)CCN1C(C=NN1Cc2ccccc2)=CC1=O)N1CCCCCC1

InChI

InChI=1S/C23H30N4O2/c28-22-16-21(17-24-27(22)18-19-8-4-3-5-9-19)25-14-10-20(11-15-25)23(29)26-12-6-1-2-7-13-26/h3-5,8-9,16-17,20H,1-2,6-7,10-15,18H2

InChI Key

OQJNFWGJAMRTGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.00

Polar Surface Area

49.473

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

P636-0429 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P636-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P636-0429?
Check Price and Availability of P636-0429, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P636-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P636-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P636-0429
  • 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 P636-0429 available by request