5483-0033 Screening compound: ethyl 1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate

5483-0033 Screening compound: ethyl 1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate
5483-0033 Screening compound: ethyl 1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5483-0033
ethyl 1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate

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

5483-0033

Molecular Formula

C16H14ClN3O3 (C16 H14 ClN3 O3)

Compound Name

ethyl 1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate

IUPAC name

ethyl 1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-16-dihydropyridazine-3-carboxylate

SMILES

CCOC(C(C(C)=C1C#N)=NN(c2cc(Cl)c(C)cc2)C1=O)=O

InChI

InChI=1S/C16H14ClN3O3/c1-4-23-16(22)14-10(3)12(8-18)15(21)20(19-14)11-6-5-9(2)13(17)7-11/h5-7H,4H2,1-3H3

InChI Key

YWEGFRDECWSMHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.58

Polar Surface Area

64.129

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5483-0033 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5483-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5483-0033?
Check Price and Availability of 5483-0033, 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 5483-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5483-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5483-0033
  • 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 5483-0033 available by request