P801-0235 Screening compound: 2-{4-[2-(3-phenylpiperazin-1-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

P801-0235 Screening compound: 2-{4-[2-(3-phenylpiperazin-1-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine
P801-0235 Screening compound: 2-{4-[2-(3-phenylpiperazin-1-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0235
2-{4-[2-(3-phenylpiperazin-1-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

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

P801-0235

Molecular Formula

C24H27N7O (C24 H27 N7 O)

Compound Name

2-{4-[2-(3-phenylpiperazin-1-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

IUPAC name

2-{4-[2-(3-phenylpiperazin-1-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

SMILES

O=C(c1cc(N2CC(c3ccccc3)NCC2)ncc1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C24H27N7O/c32-23(29-13-15-30(16-14-29)24-27-8-4-9-28-24)20-7-10-26-22(17-20)31-12-11-25-21(18-31)19-5-2-1-3-6-19/h1-10,17,21,25H,11-16,18H2/t21-/m0/s1

InChI Key

LABFTYLIIYEMGO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29025255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-2.66

Polar Surface Area

62.247

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P801-0235 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 P801-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0235?
Check Price and Availability of P801-0235, 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 P801-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0235
  • 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 P801-0235 available by request