E591-0413 Screening compound: N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

E591-0413 Screening compound: N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
E591-0413 Screening compound: N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0413
N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-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

E591-0413

Molecular Formula

C21H27N7O (C21 H27 N7 O)

Compound Name

N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

IUPAC name

N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

Cc1ccc(CNC(CCc2nnc(cc3)n2nc3N2CCN(C)CC2)=O)cc1

InChI

InChI=1S/C21H27N7O/c1-16-3-5-17(6-4-16)15-22-21(29)10-9-19-24-23-18-7-8-20(25-28(18)19)27-13-11-26(2)12-14-27/h3-8H,9-15H2,1-2H3,(H,22,29)

InChI Key

SJZAAXUJJWOSFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

0.809

Water Solubility, LogSw

-1.89

Polar Surface Area

64.237

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E591-0413 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E591-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0413?
Check Price and Availability of E591-0413, 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 E591-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0413
  • 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 E591-0413 available by request