P801-0568 Screening compound: 1-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine

P801-0568 Screening compound: 1-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine
P801-0568 Screening compound: 1-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0568
1-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine

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

P801-0568

Molecular Formula

C27H31N5O (C27 H31 N5 O)

Compound Name

1-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine

IUPAC name

1-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine

SMILES

Cc1cccc(N(CC2)CCN2C(c(cc2)cnc2N2CC(c3ccccc3)NCC2)=O)c1

InChI

InChI=1S/C27H31N5O/c1-21-6-5-9-24(18-21)30-14-16-31(17-15-30)27(33)23-10-11-26(29-19-23)32-13-12-28-25(20-32)22-7-3-2-4-8-22/h2-11,18-19,25,28H,12-17,20H2,1H3/t25-/m0/s1

InChI Key

RASUFZFCSLEIPW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27615294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.51

Polar Surface Area

43.975

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P801-0568 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)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P801-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0568?
Check Price and Availability of P801-0568, 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 P801-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0568
  • 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 P801-0568 available by request