Y040-9839 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

Y040-9839 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide
Y040-9839 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9839
N-[(2-methoxyphenyl)methyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

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

Y040-9839

Molecular Formula

C19H23N3O3 (C19 H23 N3 O3)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetamide

SMILES

COc1c(CNC(CN2N=C(CCCCC3)C3=CC2=O)=O)cccc1

InChI

InChI=1S/C19H23N3O3/c1-25-17-10-6-5-8-15(17)12-20-18(23)13-22-19(24)11-14-7-3-2-4-9-16(14)21-22/h5-6,8,10-11H,2-4,7,9,12-13H2,1H3,(H,20,23)

InChI Key

RJPWNVWJAWVBIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18799878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-2.70

Polar Surface Area

60.666

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y040-9839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9839?
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What is the minimum amount of Y040-9839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9839
  • 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 Y040-9839 available by request