P801-0325 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

P801-0325 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
P801-0325 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0325
N-(2,3-dihydro-1H-inden-5-yl)-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

P801-0325

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

IUPAC name

N-(23-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide

SMILES

O=C(c1cc(N2CC(c3ccccc3)NCC2)ncc1)Nc1cc(CCC2)c2cc1

InChI

InChI=1S/C25H26N4O/c30-25(28-22-10-9-18-7-4-8-20(18)15-22)21-11-12-27-24(16-21)29-14-13-26-23(17-29)19-5-2-1-3-6-19/h1-3,5-6,9-12,15-16,23,26H,4,7-8,13-14,17H2,(H,28,30)/t23-/m0/s1

InChI Key

UCDFMUKCGKOOIG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29025282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-4.13

Polar Surface Area

47.354

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

P801-0325 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P801-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0325?
Check Price and Availability of P801-0325, 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 P801-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0325
  • 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 P801-0325 available by request