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

MCULE-9852777432-1

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-889879979	Princeton Biomolecular Research	Building Blocks Synthesis	95	As is	by synthesis
P-505523933	Hangzhou Apichem	Building Blocks in stock	95	Main component	in stock
P-873223368	TimTec	Building Block Collection	90	Main component	in stock

Property	Value
Components	2
Mass	315.795
logP	3.6912
H-bond acceptors	4
H-bond donors	1
Rotatable bonds	2
PSA	50.68
RO5 violations	0
RO3 violations	3
Refractivity	89.4582
Atoms	40
Rings	4
Heavy atoms	22
Hydrogen atoms	18
Heteroatoms	5
N/O atoms	4
Inorganic atoms	0
Halogen atoms	1
Chiral centers	1
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	1
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0