D420-4517 Screening compound: 1-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl}-2-phenoxyethan-1-one

D420-4517 Screening compound: 1-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl}-2-phenoxyethan-1-one
D420-4517 Screening compound: 1-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl}-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D420-4517
1-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl}-2-phenoxyethan-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

D420-4517

Molecular Formula

C24H23N5O3 (C24 H23 N5 O3)

Compound Name

1-{4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl}-2-phenoxyethan-1-one

IUPAC name

1-{4-[3-(5-methyl-124-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl}-2-phenoxyethan-1-one

SMILES

Cc1nc(-c2cc3ccccc3nc2N(CC2)CCN2C(COc2ccccc2)=O)no1

InChI

InChI=1S/C24H23N5O3/c1-17-25-23(27-32-17)20-15-18-7-5-6-10-21(18)26-24(20)29-13-11-28(12-14-29)22(30)16-31-19-8-3-2-4-9-19/h2-10,15H,11-14,16H2,1H3

InChI Key

MWIWLDMZCTXNJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

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

3.747

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-4.05

Polar Surface Area

66.288

Acid Dissociation Constant (pKa)

24.00

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D420-4517 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D420-4517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D420-4517?
Check Price and Availability of D420-4517, 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 D420-4517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D420-4517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D420-4517
  • 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 D420-4517 available by request