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

MCULE-3597257565-0

Structure Show compound

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-870650663	Glentham Life Sciences	Compounds typically in stock	N/A	As a main component	in stock
P-870650681	Glentham Life Sciences	Compounds typically in stock	N/A	As a main component	in stock
P-870650666	Glentham Life Sciences	Compounds typically in stock	N/A	As a main component	in stock
P-885550747	Princeton Biomolecular Research	Building Blocks Synthesis	95	As a main component	by synthesis

Property	Value
Components	1
Mass	336.084
logP	-1.3904
H-bond acceptors	12
H-bond donors	3
Rotatable bonds	9
PSA	242.22
RO5 violations	1
RO3 violations	4
Refractivity	52.6564
Atoms	30
Rings	0
Heavy atoms	20
Hydrogen atoms	10
Heteroatoms	14
N/O atoms	12
Inorganic atoms	0
Halogen atoms	0
Chiral centers	3
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	3
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0