E591-0904 Screening compound: N-cyclohexyl-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

E591-0904 Screening compound: N-cyclohexyl-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
E591-0904 Screening compound: N-cyclohexyl-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0904
N-cyclohexyl-3-[6-(morpholin-4-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

E591-0904

Molecular Formula

C18H26N6O2 (C18 H26 N6 O2)

Compound Name

N-cyclohexyl-3-[6-(morpholin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

IUPAC name

N-cyclohexyl-3-[6-(morpholin-4-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

O=C(CCc1nnc(cc2)n1nc2N1CCOCC1)NC1CCCCC1

InChI

InChI=1S/C18H26N6O2/c25-18(19-14-4-2-1-3-5-14)9-8-16-21-20-15-6-7-17(22-24(15)16)23-10-12-26-13-11-23/h6-7,14H,1-5,8-13H2,(H,19,25)

InChI Key

JUBFQMWRIUAOFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.324

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-1.92

Polar Surface Area

68.394

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

E591-0904 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E591-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0904?
Check Price and Availability of E591-0904, 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 E591-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0904
  • 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 E591-0904 available by request