MCULE-7067341108
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 65 USD | 95 | 34 working days | Get Quote |
5 mg | 65 USD | 95 | 34 working days | Get Quote |
10 mg | 65 USD | 95 | 34 working days | Get Quote |
- 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-2596868798
- Component type: Main
-
MCULE-7904753236
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7067341108.sdf |
SMILES | MCULE-7067341108.smiles |
Standard InChI | MCULE-7067341108.inchi |
InChIKey | MCULE-7067341108.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-612869035 | N/A | As is | by synthesis |
P-894659321 | 95 | As is | in stock |
P-851254646 | 95 | As is | by synthesis |
P-889035800 | 95 | As is | by synthesis |
P-855949332 | 95 | As is | 1000 mg |
P-852525967 | N/A | As is | in stock |
P-854910922 | 95 | As is | by synthesis |
P-855218893 | 90 | As is | in stock |
P-580086615 | 95 | As is | in stock |
P-886732651 | 95 | As a main component | in stock |
P-890031102 | N/A | As a main component | by synthesis |
P-869299941 | 95 | As a main component | in stock |
P-903308936 | 95 | As a main component | 1000 mg |
P-851507711 | N/A | As a main component | by synthesis |
P-899935353 | N/A | As a main component | by synthesis |
P-864243314 | 95 | As a main component | by synthesis |
P-889808228 | 95 | As a main component | by synthesis |
P-590808221 | 95 | As a main component | by synthesis |
P-901886681 | 95 | As a main component | by synthesis |
P-901511994 | 95 | As a main component | by synthesis |
P-861384480 | 95 | As a main component | by synthesis |
P-893864258 | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 244.128 |
logP | 2.8283 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 57.8567 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |