E591-0313 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one

E591-0313 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
E591-0313 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0313
1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[6-(pyrrolidin-1-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

E591-0313

Molecular Formula

C21H26N8O (C21 H26 N8 O)

Compound Name

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

IUPAC name

1-[4-(pyridin-2-yl)piperazin-1-yl]-3-[6-(pyrrolidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2N1CCCC1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H26N8O/c30-21(28-15-13-27(14-16-28)17-5-1-2-10-22-17)9-8-19-24-23-18-6-7-20(25-29(18)19)26-11-3-4-12-26/h1-2,5-7,10H,3-4,8-9,11-16H2

InChI Key

IDMYLGAXDWLXRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

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

1.599

Distribution Coefficient, logD

1.590

Water Solubility, LogSw

-1.53

Polar Surface Area

64.819

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E591-0313 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 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 E591-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0313?
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What is the minimum amount of E591-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0313
  • 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 E591-0313 available by request