E591-0290 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

E591-0290 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
E591-0290 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0290
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(pyrrolidin-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

E591-0290

Molecular Formula

C20H22N6O3 (C20 H22 N6 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[6-(pyrrolidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

O=C(CCc1nnc(cc2)n1nc2N1CCCC1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H22N6O3/c27-20(21-12-14-3-4-15-16(11-14)29-13-28-15)8-7-18-23-22-17-5-6-19(24-26(17)18)25-9-1-2-10-25/h3-6,11H,1-2,7-10,12-13H2,(H,21,27)

InChI Key

FRPLETZSLZZNOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.616

Distribution Coefficient, logD

1.616

Water Solubility, LogSw

-2.11

Polar Surface Area

78.242

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E591-0290 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E591-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0290?
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What is the minimum amount of E591-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0290
  • 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 E591-0290 available by request