P801-0699 Screening compound: 1-[6-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]-3-phenylpiperazine

P801-0699 Screening compound: 1-[6-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]-3-phenylpiperazine
P801-0699 Screening compound: 1-[6-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]-3-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P801-0699
1-[6-(4-benzylpiperidine-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

P801-0699

Molecular Formula

C28H32N4O (C28 H32 N4 O)

Compound Name

1-[6-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]-3-phenylpiperazine

IUPAC name

1-[6-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]-3-phenylpiperazine

SMILES

O=C(c1nc(N2CC(c3ccccc3)NCC2)ccc1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C28H32N4O/c33-28(31-17-14-23(15-18-31)20-22-8-3-1-4-9-22)25-12-7-13-27(30-25)32-19-16-29-26(21-32)24-10-5-2-6-11-24/h1-13,23,26,29H,14-21H2/t26-/m0/s1

InChI Key

JRMKPUJZMCOFDG-SANMLTNESA-N

MDL Number (MFCD)

MFCD29025351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.83

Polar Surface Area

39.921

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

P801-0699 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)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P801-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P801-0699?
Check Price and Availability of P801-0699, 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 P801-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P801-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P801-0699
  • 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 P801-0699 available by request