E591-0254 Screening compound: N-[4-(furan-2-yl)butan-2-yl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

E591-0254 Screening compound: N-[4-(furan-2-yl)butan-2-yl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
E591-0254 Screening compound: N-[4-(furan-2-yl)butan-2-yl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0254
N-[4-(furan-2-yl)butan-2-yl]-3-[6-(4-methylpiperidin-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

E591-0254

Molecular Formula

C22H30N6O2 (C22 H30 N6 O2)

Compound Name

N-[4-(furan-2-yl)butan-2-yl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

IUPAC name

N-[4-(furan-2-yl)butan-2-yl]-3-[6-(4-methylpiperidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

CC(CCc1ccco1)NC(CCc1nnc(cc2)n1nc2N1CCC(C)CC1)=O

InChI

InChI=1S/C22H30N6O2/c1-16-11-13-27(14-12-16)21-8-7-19-24-25-20(28(19)26-21)9-10-22(29)23-17(2)5-6-18-4-3-15-30-18/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3,(H,23,29)/t17-/m0/s1

InChI Key

GMFVGYZKMHCTSN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14901370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.34

Polar Surface Area

67.951

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

E591-0254 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 E591-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0254?
Check Price and Availability of E591-0254, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E591-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0254
  • 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 E591-0254 available by request