M454-0629 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-{6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

M454-0629 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-{6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
M454-0629 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-{6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M454-0629
N-{3-[ethyl(phenyl)amino]propyl}-3-{6-phenyl-[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

M454-0629

Molecular Formula

C25H28N6O (C25 H28 N6 O)

Compound Name

N-{3-[ethyl(phenyl)amino]propyl}-3-{6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

IUPAC name

N-{3-[ethyl(phenyl)amino]propyl}-3-{6-phenyl-[124]triazolo[43-b]pyridazin-3-yl}propanamide

SMILES

CCN(CCCNC(CCc1nnc(cc2)n1nc2-c1ccccc1)=O)c1ccccc1

InChI

InChI=1S/C25H28N6O/c1-2-30(21-12-7-4-8-13-21)19-9-18-26-25(32)17-16-24-28-27-23-15-14-22(29-31(23)24)20-10-5-3-6-11-20/h3-8,10-15H,2,9,16-19H2,1H3,(H,26,32)

InChI Key

BVZREBSXPAIWAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.22

Polar Surface Area

60.405

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M454-0629 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M454-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M454-0629?
Check Price and Availability of M454-0629, 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 M454-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M454-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M454-0629
  • 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 M454-0629 available by request