P801-0764 Screening compound: 6-(3-phenylpiperazin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyridine-2-carboxamide

P801-0764 Screening compound: 6-(3-phenylpiperazin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyridine-2-carboxamide
P801-0764 Screening compound: 6-(3-phenylpiperazin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0764
6-(3-phenylpiperazin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyridine-2-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

P801-0764

Molecular Formula

C22H29N5O (C22 H29 N5 O)

Compound Name

6-(3-phenylpiperazin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyridine-2-carboxamide

IUPAC name

6-(3-phenylpiperazin-1-yl)-N-[2-(pyrrolidin-1-yl)ethyl]pyridine-2-carboxamide

SMILES

O=C(c1nc(N2CC(c3ccccc3)NCC2)ccc1)NCCN1CCCC1

InChI

InChI=1S/C22H29N5O/c28-22(24-11-15-26-13-4-5-14-26)19-9-6-10-21(25-19)27-16-12-23-20(17-27)18-7-2-1-3-8-18/h1-3,6-10,20,23H,4-5,11-17H2,(H,24,28)/t20-/m0/s1

InChI Key

MRDVJXGRXSPQPV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29025371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.129

Distribution Coefficient, logD

0.393

Water Solubility, LogSw

-2.67

Polar Surface Area

52.148

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

P801-0764 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 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

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with P801-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0764?
Check Price and Availability of P801-0764, 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 P801-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0764
  • 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 P801-0764 available by request