E591-0024 Screening compound: N-(3-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

E591-0024 Screening compound: N-(3-fluorophenyl)-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
E591-0024 Screening compound: N-(3-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 E591-0024
N-(3-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

E591-0024

Molecular Formula

C25H26FN7O2 (C25 H26 FN7 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(CC2)CCN2c(cc2)nn3c2nnc3CCC(Nc2cccc(F)c2)=O)c1

InChI

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

InChI Key

QQDQLVCQNHVHSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901235

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

3.335

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-3.65

Polar Surface Area

70.243

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with E591-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0024?
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What is the minimum amount of E591-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0024
  • 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 E591-0024 available by request