Y041-1089 Screening compound: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one

Y041-1089 Screening compound: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one
Y041-1089 Screening compound: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1089
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one

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

Y041-1089

Molecular Formula

C21H26N4O2 (C21 H26 N4 O2)

Compound Name

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one

IUPAC name

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-3-one

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C21H26N4O2/c26-20-15-17-7-3-1-6-10-19(17)22-25(20)16-21(27)24-13-11-23(12-14-24)18-8-4-2-5-9-18/h2,4-5,8-9,15H,1,3,6-7,10-14,16H2

InChI Key

WDYOYGRCQWSUHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18799869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.213

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-2.41

Polar Surface Area

48.217

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with Y041-1089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1089?
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What is the minimum amount of Y041-1089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1089
  • 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 Y041-1089 available by request