P636-0317 Screening compound: N-[2-(1-AZEPANYL)ETHYL]-1-(6-OXO-1-PROPYL-1,6-DIHYDRO-4-PYRIDAZINYL)-4-PIPERIDINECARBOXAMIDE

P636-0317 Screening compound: N-[2-(1-AZEPANYL)ETHYL]-1-(6-OXO-1-PROPYL-1,6-DIHYDRO-4-PYRIDAZINYL)-4-PIPERIDINECARBOXAMIDE
P636-0317 Screening compound: N-[2-(1-AZEPANYL)ETHYL]-1-(6-OXO-1-PROPYL-1,6-DIHYDRO-4-PYRIDAZINYL)-4-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P636-0317
N-[2-(1-AZEPANYL)ETHYL]-1-(6-OXO-1-PROPYL-1,6-DIHYDRO-4-PYRIDAZINYL)-4-PIPERIDINECARBOXAMIDE

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

P636-0317

Molecular Formula

C21H35N5O2 (C21 H35 N5 O2)

Compound Name

N-[2-(1-AZEPANYL)ETHYL]-1-(6-OXO-1-PROPYL-1,6-DIHYDRO-4-PYRIDAZINYL)-4-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

CCCN1N=CC(N(CC2)CCC2C(NCCN2CCCCCC2)=O)=CC1=O

InChI

InChI=1S/C21H35N5O2/c1-2-10-26-20(27)16-19(17-23-26)25-13-7-18(8-14-25)21(28)22-9-15-24-11-5-3-4-6-12-24/h16-18H,2-15H2,1H3,(H,22,28)

InChI Key

CACAXMCRIOFMRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.698

Distribution Coefficient, logD

-0.085

Water Solubility, LogSw

-1.82

Polar Surface Area

61.312

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.20

P636-0317 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P636-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P636-0317?
Check Price and Availability of P636-0317, 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 P636-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P636-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P636-0317
  • 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 P636-0317 available by request