E591-0962 Screening compound: ethyl 2-{3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-phenylpropanoate

E591-0962 Screening compound: ethyl 2-{3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-phenylpropanoate
E591-0962 Screening compound: ethyl 2-{3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0962
ethyl 2-{3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-phenylpropanoate

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

E591-0962

Molecular Formula

C23H28N6O4 (C23 H28 N6 O4)

Compound Name

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

IUPAC name

ethyl 2-{3-[6-(morpholin-4-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamido}-3-phenylpropanoate

SMILES

CCOC(C(Cc1ccccc1)NC(CCc1nnc(cc2)n1nc2N1CCOCC1)=O)=O

InChI

InChI=1S/C23H28N6O4/c1-2-33-23(31)18(16-17-6-4-3-5-7-17)24-22(30)11-10-20-26-25-19-8-9-21(27-29(19)20)28-12-14-32-15-13-28/h3-9,18H,2,10-16H2,1H3,(H,24,30)/t18-/m0/s1

InChI Key

OWSOKADDKNMEBZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14901749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.367

Distribution Coefficient, logD

1.367

Water Solubility, LogSw

-1.82

Polar Surface Area

89.053

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

E591-0962 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with E591-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0962?
Check Price and Availability of E591-0962, 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 E591-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0962
  • 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 E591-0962 available by request