E591-0956 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one

E591-0956 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
E591-0956 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0956
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-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

E591-0956

Molecular Formula

C22H26FN7O2 (C22 H26 FN7 O2)

Compound Name

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one

IUPAC name

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[6-(morpholin-4-yl)-[124]triazolo[43-b]pyridazin-3-yl]propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2N1CCOCC1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C22H26FN7O2/c23-17-1-3-18(4-2-17)27-9-11-29(12-10-27)22(31)8-7-20-25-24-19-5-6-21(26-30(19)20)28-13-15-32-16-14-28/h1-6H,7-16H2

InChI Key

FJIODXHSEFXPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.359

Distribution Coefficient, logD

1.359

Water Solubility, LogSw

-1.75

Polar Surface Area

63.850

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E591-0956 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E591-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0956?
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What is the minimum amount of E591-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0956
  • 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 E591-0956 available by request