E591-0025 Screening compound: N-(4-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

E591-0025 Screening compound: N-(4-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
E591-0025 Screening compound: N-(4-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0025
N-(4-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

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

E591-0025

Molecular Formula

C25H26FN7O2 (C25 H26 FN7 O2)

Compound Name

N-(4-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

IUPAC name

N-(4-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[124]triazolo[43-b]pyridazin-3-yl}propanamide

SMILES

COc1cccc(N(CC2)CCN2c(cc2)nn3c2nnc3CCC(Nc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C25H26FN7O2/c1-35-21-4-2-3-20(17-21)31-13-15-32(16-14-31)24-10-9-22-28-29-23(33(22)30-24)11-12-25(34)27-19-7-5-18(26)6-8-19/h2-10,17H,11-16H2,1H3,(H,27,34)

InChI Key

XUNCMJJECKSGCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.53

Polar Surface Area

70.243

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E591-0025 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E591-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0025?
Check Price and Availability of E591-0025, 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 E591-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0025
  • 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 E591-0025 available by request