MCULE-8684380812
- 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 | 11 USD | 95 | 20 working days | Get Quote |
5 mg | 11 USD | 95 | 20 working days | Get Quote |
10 mg | 11 USD | 95 | 20 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.
-
1
MCULE-8317114203
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8684380812.sdf |
SMILES | MCULE-8684380812.smiles |
Standard InChI | MCULE-8684380812.inchi |
InChIKey | MCULE-8684380812.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867537893 | 95 | As is | in stock |
P-875693390 | N/A | As is | in stock |
P-903014406 | 95 | As is | 25 g |
P-893617983 | 90 | As is | 202.379 g |
P-851933353 | N/A | As is | in stock |
P-489218957 | 97 | As is | in stock |
P-596981544 | 95 | As is | 100 g |
P-872728118 | 98 | As is | in stock |
P-579788676 | 95 | As is | by resynthesis (? - ? days) |
P-864145502 | 94 | As is | in stock |
P-893228984 | 95 | As is | in stock |
P-608220326 | 95 | As is | in stock |
P-608220327 | 95 | As is | in stock |
P-31175172 | 90 | As is | unavailable |
P-852467375 | N/A | As is | in stock |
P-608270731 | 98 | As is | in stock |
P-500409688 | 98 | As is | by synthesis |
P-617401861 | N/A | As is | in stock |
P-869111648 | 95 | As is | by synthesis |
P-892287851 | 95 | As is | unavailable |
P-888629514 | 95 | As is | 54 mg |
P-22540401 | 90 | As is | 974 mg |
P-611422745 | 90 | As is | in stock |
P-855008458 | 90 | As is | in stock |
P-855008459 | 90 | As is | in stock |
P-480999487 | 95 | As is | in stock |
P-892940756 | N/A | Main component as a main component | by synthesis |
P-904222041 | 95 | Main component as a main component | by synthesis |
P-904238698 | 95 | Main component as a main component | unavailable |
Property | Value |
---|---|
Components | 2 |
Mass | 394.307 |
logP | 6.2523 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 55.92 |
RO5 violations | 1 |
RO3 violations | 2 |
Refractivity | 114.1358 |
Atoms | 45 |
Rings | 4 |
Heavy atoms | 25 |
Hydrogen atoms | 20 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |