E591-0107 Screening compound: 3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-[3-(pyrrolidin-1-yl)propyl]propanamide

E591-0107 Screening compound: 3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-[3-(pyrrolidin-1-yl)propyl]propanamide
E591-0107 Screening compound: 3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-[3-(pyrrolidin-1-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0107
3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-[3-(pyrrolidin-1-yl)propyl]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

E591-0107

Molecular Formula

C26H36N8O2 (C26 H36 N8 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(CC2)CCN2c(cc2)nn3c2nnc3CCC(NCCCN2CCCC2)=O)c1

InChI

InChI=1S/C26H36N8O2/c1-36-22-7-4-6-21(20-22)32-16-18-33(19-17-32)25-9-8-23-28-29-24(34(23)30-25)10-11-26(35)27-12-5-15-31-13-2-3-14-31/h4,6-9,20H,2-3,5,10-19H2,1H3,(H,27,35)

InChI Key

QLNRUIUCAXJLMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.661

Distribution Coefficient, logD

-1.429

Water Solubility, LogSw

-2.14

Polar Surface Area

75.755

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

E591-0107 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E591-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0107?
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What is the minimum amount of E591-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0107
  • 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 E591-0107 available by request