L466-0561 Screening compound: 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-[4-(quinoxalin-2-yl)phenoxy]propan-1-one

L466-0561 Screening compound: 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-[4-(quinoxalin-2-yl)phenoxy]propan-1-one
L466-0561 Screening compound: 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-[4-(quinoxalin-2-yl)phenoxy]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L466-0561
1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-[4-(quinoxalin-2-yl)phenoxy]propan-1-one

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

L466-0561

Molecular Formula

C25H24N6O2 (C25 H24 N6 O2)

Compound Name

1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-[4-(quinoxalin-2-yl)phenoxy]propan-1-one

IUPAC name

1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-[4-(quinoxalin-2-yl)phenoxy]propan-1-one

SMILES

CC(C(N(CC1)CCN1c1ncccn1)=O)Oc(cc1)ccc1-c1nc2ccccc2nc1

InChI

InChI=1S/C25H24N6O2/c1-18(24(32)30-13-15-31(16-14-30)25-26-11-4-12-27-25)33-20-9-7-19(8-10-20)23-17-28-21-5-2-3-6-22(21)29-23/h2-12,17-18H,13-16H2,1H3/t18-/m0/s1

InChI Key

QTVZIKQUEFPNGF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27254799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.01

Polar Surface Area

62.482

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

L466-0561 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L466-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L466-0561?
Check Price and Availability of L466-0561, 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 L466-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L466-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L466-0561
  • 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 L466-0561 available by request