P801-0381 Screening compound: N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

P801-0381 Screening compound: N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
P801-0381 Screening compound: N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0381
N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-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

P801-0381

Molecular Formula

C25H26N6O (C25 H26 N6 O)

Compound Name

N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

IUPAC name

N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

SMILES

Cn1c(cccc2)c2nc1CNC(c1cc(N2CC(c3ccccc3)NCC2)ncc1)=O

InChI

InChI=1S/C25H26N6O/c1-30-22-10-6-5-9-20(22)29-24(30)16-28-25(32)19-11-12-27-23(15-19)31-14-13-26-21(17-31)18-7-3-2-4-8-18/h2-12,15,21,26H,13-14,16-17H2,1H3,(H,28,32)/t21-/m0/s1

InChI Key

IOPUUFGLFFMLBG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29025301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-3.22

Polar Surface Area

60.376

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

P801-0381 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P801-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0381?
Check Price and Availability of P801-0381, 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 P801-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0381
  • 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 P801-0381 available by request