Y040-9790 Screening compound: N-[(furan-2-yl)methyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

Y040-9790 Screening compound: N-[(furan-2-yl)methyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide
Y040-9790 Screening compound: N-[(furan-2-yl)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 Y040-9790
N-[(furan-2-yl)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

Y040-9790

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)NCc1ccco1

InChI

InChI=1S/C16H19N3O3/c20-15(17-10-13-6-4-8-22-13)11-19-16(21)9-12-5-2-1-3-7-14(12)18-19/h4,6,8-9H,1-3,5,7,10-11H2,(H,17,20)

InChI Key

CRZBLIOCTYASCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18796864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.956

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.39

Polar Surface Area

60.784

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y040-9790 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-9790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9790?
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What is the minimum amount of Y040-9790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9790
  • 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 Y040-9790 available by request