8016-8314 Screening compound: (4-piperazinophenyl)(3-pyridyl)methanone

8016-8314 Screening compound: (4-piperazinophenyl)(3-pyridyl)methanone
8016-8314 Screening compound: (4-piperazinophenyl)(3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8314
(4-piperazinophenyl)(3-pyridyl)methanone

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

8016-8314

Molecular Formula

C16H17N3O (C16 H17 N3 O)

Compound Name

(4-piperazinophenyl)(3-pyridyl)methanone

IUPAC name

1-[4-(pyridine-3-carbonyl)phenyl]piperazine

SMILES

O=C(c(cc1)ccc1N1CCNCC1)c1cnccc1

InChI

InChI=1S/C16H17N3O/c20-16(14-2-1-7-18-12-14)13-3-5-15(6-4-13)19-10-8-17-9-11-19/h1-7,12,17H,8-11H2

InChI Key

JCUBGEDLHTYPEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

-0.029

Water Solubility, LogSw

-1.17

Polar Surface Area

38.636

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8016-8314 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-8314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8314?
Check Price and Availability of 8016-8314, 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 8016-8314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8314
  • 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 8016-8314 available by request