E591-0292 Screening compound: 3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

E591-0292 Screening compound: 3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one
E591-0292 Screening compound: 3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0292
3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-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

E591-0292

Molecular Formula

C21H24N6O (C21 H24 N6 O)

Compound Name

3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

IUPAC name

3-[6-(pyrrolidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]-1-(1234-tetrahydroisoquinolin-2-yl)propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2N1CCCC1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H24N6O/c28-21(26-14-11-16-5-1-2-6-17(16)15-26)10-9-19-23-22-18-7-8-20(24-27(18)19)25-12-3-4-13-25/h1-2,5-8H,3-4,9-15H2

InChI Key

HXPUORYOCLSUSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-2.35

Polar Surface Area

52.709

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E591-0292 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E591-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0292?
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What is the minimum amount of E591-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0292
  • 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 E591-0292 available by request