P636-0531 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide

P636-0531 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
P636-0531 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P636-0531
N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide

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

P636-0531

Molecular Formula

C24H24N6O2 (C24 H24 N6 O2)

Compound Name

N-[3-(1H-1,3-benzodiazol-2-yl)phenyl]-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)phenyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-yl)piperidine-4-carboxamide

SMILES

CN1N=CC(N(CC2)CCC2C(Nc2cc(-c3nc(cccc4)c4[nH]3)ccc2)=O)=CC1=O

InChI

InChI=1S/C24H24N6O2/c1-29-22(31)14-19(15-25-29)30-11-9-16(10-12-30)24(32)26-18-6-4-5-17(13-18)23-27-20-7-2-3-8-21(20)28-23/h2-8,13-16H,9-12H2,1H3,(H,26,32)(H,27,28)

InChI Key

YNFKNMYGBIPAAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31984393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.708

Water Solubility, LogSw

-3.33

Polar Surface Area

74.555

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P636-0531 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with P636-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P636-0531?
Check Price and Availability of P636-0531, 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 P636-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P636-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P636-0531
  • 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 P636-0531 available by request