J046-0773 Screening compound: N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide

J046-0773 Screening compound: N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide
J046-0773 Screening compound: N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-0773
N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide

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

J046-0773

Molecular Formula

C26H20N4O5 (C26 H20 N4 O5)

Compound Name

N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)benzamide

IUPAC name

N-(2-{[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-23-dihydropyridazin-4-yl)benzamide

SMILES

O=C(CN(C(C(NC(c1ccccc1)=O)=C1)=O)N=C1c1ccccc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H20N4O5/c31-24(27-19-11-12-22-23(13-19)35-16-34-22)15-30-26(33)21(28-25(32)18-9-5-2-6-10-18)14-20(29-30)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,31)(H,28,32)

InChI Key

YNUKOTFLAFWRIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.81

Polar Surface Area

92.589

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

J046-0773 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J046-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-0773?
Check Price and Availability of J046-0773, 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 J046-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-0773
  • 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 J046-0773 available by request