5463-0057 Screening compound: ethyl 3-oxo-2-[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]butanoate

5463-0057 Screening compound: ethyl 3-oxo-2-[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]butanoate
5463-0057 Screening compound: ethyl 3-oxo-2-[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5463-0057
ethyl 3-oxo-2-[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]butanoate

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

5463-0057

Molecular Formula

C16H16N2O5 (C16 H16 N2 O5)

Compound Name

ethyl 3-oxo-2-[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]butanoate

IUPAC name

ethyl 3-oxo-2-[(6-oxo-1-phenyl-16-dihydropyridazin-3-yl)oxy]butanoate

SMILES

CCOC(C(C(C)=O)OC(C=C1)=NN(c2ccccc2)C1=O)=O

InChI

InChI=1S/C16H16N2O5/c1-3-22-16(21)15(11(2)19)23-13-9-10-14(20)18(17-13)12-7-5-4-6-8-12/h4-10,15H,3H2,1-2H3/t15-/m0/s1

InChI Key

GCXUTYCABPTIIE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03017269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

1.362

Water Solubility, LogSw

-1.92

Polar Surface Area

69.841

Acid Dissociation Constant (pKa)

18.00

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5463-0057 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5463-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5463-0057?
Check Price and Availability of 5463-0057, 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 5463-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5463-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5463-0057
  • 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 5463-0057 available by request