D345-0046 Screening compound: 1-[4-(propan-2-yloxy)benzoyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

D345-0046 Screening compound: 1-[4-(propan-2-yloxy)benzoyl]-4-[2-(pyridin-2-yl)ethyl]piperazine
D345-0046 Screening compound: 1-[4-(propan-2-yloxy)benzoyl]-4-[2-(pyridin-2-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0046
1-[4-(propan-2-yloxy)benzoyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

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

D345-0046

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

1-[4-(propan-2-yloxy)benzoyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

IUPAC name

1-[4-(propan-2-yloxy)benzoyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

SMILES

CC(C)Oc(cc1)ccc1C(N1CCN(CCc2ncccc2)CC1)=O

InChI

InChI=1S/C21H27N3O2/c1-17(2)26-20-8-6-18(7-9-20)21(25)24-15-13-23(14-16-24)12-10-19-5-3-4-11-22-19/h3-9,11,17H,10,12-16H2,1-2H3

InChI Key

WDROXXAWTXPHIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.36

Polar Surface Area

36.751

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D345-0046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Human Proteases Annotated Library (2868 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D345-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0046?
Check Price and Availability of D345-0046, 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 D345-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0046
  • 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 D345-0046 available by request