Y040-9781 Screening compound: N-cyclopropyl-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

Y040-9781 Screening compound: N-cyclopropyl-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide
Y040-9781 Screening compound: N-cyclopropyl-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 Y040-9781
N-cyclopropyl-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

Y040-9781

Molecular Formula

C14H19N3O2 (C14 H19 N3 O2)

Compound Name

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

IUPAC name

N-cyclopropyl-2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetamide

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)NC1CC1

InChI

InChI=1S/C14H19N3O2/c18-13(15-11-6-7-11)9-17-14(19)8-10-4-2-1-3-5-12(10)16-17/h8,11H,1-7,9H2,(H,15,18)

InChI Key

NPOZUPBQOSRCOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18797481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.098

Distribution Coefficient, logD

1.098

Water Solubility, LogSw

-1.66

Polar Surface Area

53.092

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.29

Y040-9781 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y040-9781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9781?
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What is the minimum amount of Y040-9781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9781
  • 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 Y040-9781 available by request