J046-1013 Screening compound: N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide

J046-1013 Screening compound: N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide
J046-1013 Screening compound: N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J046-1013
N-(2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)-2-methylpropanamide

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

J046-1013

Molecular Formula

C23H22N4O5 (C23 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(NC1=CC(c2ccccc2)=NN(CC(Nc(cc2)cc3c2OCO3)=O)C1=O)=O

InChI

InChI=1S/C23H22N4O5/c1-14(2)22(29)25-18-11-17(15-6-4-3-5-7-15)26-27(23(18)30)12-21(28)24-16-8-9-19-20(10-16)32-13-31-19/h3-11,14H,12-13H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

DRALBEXDTRWBQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

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

3.258

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.47

Polar Surface Area

92.861

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

J046-1013 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J046-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J046-1013?
Check Price and Availability of J046-1013, 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 J046-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J046-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J046-1013
  • 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 J046-1013 available by request