Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »

MCULE-7406902491

Compound Show structure

In order to add this molecule to a collection you have to create an account. Sign up for free

1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
Property calculator Create a physicochemical property profile for the compound in a second.
Similarity search Find analogs by similarity search.
Substructure search Find analogs by substructure search.

mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-867431258	A2B Chem	Predominantly Building Block on demand	N/A	Main component as a main component	by synthesis
P-580377114	Debye Scientific	General Catalog	N/A	Main component as a main component	by resynthesis (? - ? days)
P-580377084	Debye Scientific	General Catalog	N/A	Main component as a main component	by resynthesis (? - ? days)

Property	Value
Components	3
Mass	412.674
logP	5.0688
H-bond acceptors	6
H-bond donors	0
Rotatable bonds	12
PSA	88.64
RO5 violations	1
RO3 violations	5
Refractivity	115.6356
Atoms	75
Rings	0
Heavy atoms	27
Hydrogen atoms	48
Heteroatoms	7
N/O atoms	6
Inorganic atoms	0
Halogen atoms	0
Chiral centers	0
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	0
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0