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

MCULE-2235377060

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-852620182	Matrix Scientific	All	N/A	As is	in stock
P-863722418	MedChemExpress	Screening compounds In stock	95	As is	in stock
P-896627972	MedChemExpress	Screening compounds on demand	95	As is	by synthesis
P-899988042	MedChemExpress	Screening compounds on demand	95	As a main component	by synthesis

Property	Value
Components	1
Mass	348.412
logP	4.762
H-bond acceptors	3
H-bond donors	1
Rotatable bonds	5
PSA	34.15
RO5 violations	0
RO3 violations	3
Refractivity	100.6847
Atoms	47
Rings	4
Heavy atoms	26
Hydrogen atoms	21
Heteroatoms	4
N/O atoms	3
Inorganic atoms	0
Halogen atoms	1
Chiral centers	1
R/S chiral centers	1
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