E591-0841 Screening compound: ethyl 2-{3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}propanoate

E591-0841 Screening compound: ethyl 2-{3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}propanoate
E591-0841 Screening compound: ethyl 2-{3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0841
ethyl 2-{3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}propanoate

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

E591-0841

Molecular Formula

C18H26N6O3 (C18 H26 N6 O3)

Compound Name

ethyl 2-{3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}propanoate

IUPAC name

ethyl 2-{3-[6-(piperidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamido}propanoate

SMILES

CCOC(C(C)NC(CCc1nnc(cc2)n1nc2N1CCCCC1)=O)=O

InChI

InChI=1S/C18H26N6O3/c1-3-27-18(26)13(2)19-17(25)10-9-15-21-20-14-7-8-16(22-24(14)15)23-11-5-4-6-12-23/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,25)/t13-/m0/s1

InChI Key

YJHRLPSKIRLKJB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14901666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

1.330

Water Solubility, LogSw

-2.15

Polar Surface Area

80.949

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

E591-0841 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E591-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0841?
Check Price and Availability of E591-0841, 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 E591-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0841
  • 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 E591-0841 available by request