P801-0140 Screening compound: ethyl 4-[2-(3-phenylpiperazin-1-yl)pyridine-3-amido]piperidine-1-carboxylate

P801-0140 Screening compound: ethyl 4-[2-(3-phenylpiperazin-1-yl)pyridine-3-amido]piperidine-1-carboxylate
P801-0140 Screening compound: ethyl 4-[2-(3-phenylpiperazin-1-yl)pyridine-3-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0140
ethyl 4-[2-(3-phenylpiperazin-1-yl)pyridine-3-amido]piperidine-1-carboxylate

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

P801-0140

Molecular Formula

C24H31N5O3 (C24 H31 N5 O3)

Compound Name

ethyl 4-[2-(3-phenylpiperazin-1-yl)pyridine-3-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[2-(3-phenylpiperazin-1-yl)pyridine-3-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(N2CC(c3ccccc3)NCC2)nccc1)=O)=O

InChI

InChI=1S/C24H31N5O3/c1-2-32-24(31)28-14-10-19(11-15-28)27-23(30)20-9-6-12-26-22(20)29-16-13-25-21(17-29)18-7-4-3-5-8-18/h3-9,12,19,21,25H,2,10-11,13-17H2,1H3,(H,27,30)/t21-/m0/s1

InChI Key

QRRTWMZFJCURCS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29026197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

1.590

Water Solubility, LogSw

-2.86

Polar Surface Area

71.365

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

P801-0140 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P801-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0140?
Check Price and Availability of P801-0140, 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 P801-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0140
  • 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 P801-0140 available by request