8016-3541 Screening compound: 6-oxo-1-phenyl-1,4,5,6-tetrahydro-3-pyridazinecarboxylic acid

8016-3541 Screening compound: 6-oxo-1-phenyl-1,4,5,6-tetrahydro-3-pyridazinecarboxylic acid
8016-3541 Screening compound: 6-oxo-1-phenyl-1,4,5,6-tetrahydro-3-pyridazinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3541
6-oxo-1-phenyl-1,4,5,6-tetrahydro-3-pyridazinecarboxylic acid

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

8016-3541

Molecular Formula

C11H10N2O3 (C11 H10 N2 O3)

Compound Name

6-oxo-1-phenyl-1,4,5,6-tetrahydro-3-pyridazinecarboxylic acid

IUPAC name

6-oxo-1-phenyl-1456-tetrahydropyridazine-3-carboxylic acid

SMILES

OC(C(CCC1=O)=NN1c1ccccc1)=O

InChI

InChI=1S/C11H10N2O3/c14-10-7-6-9(11(15)16)12-13(10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)

InChI Key

YVKMCSMHVJNAAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03964671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.518

Distribution Coefficient, logD

-4.799

Water Solubility, LogSw

-1.22

Polar Surface Area

55.808

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8016-3541 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-3541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3541?
Check Price and Availability of 8016-3541, 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 8016-3541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3541
  • 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 8016-3541 available by request