Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2212228290
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 208 USD | 95 | 42 working days | Get Quote |
| 5 mg | 208 USD | 95 | 42 working days | Get Quote |
| 10 mg | 208 USD | 95 | 42 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-2386940631
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2212228290.sdf |
| SMILES | MCULE-2212228290.smiles |
| Standard InChI | MCULE-2212228290.inchi |
| InChIKey | MCULE-2212228290.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270106863 | 95 | As is | in stock |
| P-889908097 | 97 | As is | by synthesis |
| P-853433374 | 98 | As is | by resynthesis (? - ? days) |
| P-1264518243 | 97 | As is | 1000 mg |
| P-907422418 | 90 | As is | 1000 mg |
| P-580260970 | 95 | As is | by synthesis |
| P-851714690 | N/A | As is | by synthesis |
| P-597010170 | 97 | As is | 1000 mg |
| P-591117254 | 98 | As is | by synthesis |
| P-851321328 | 95 | As is | by synthesis |
| P-580411892 | 95 | As is | by resynthesis (? - ? days) |
| P-489245854 | 95 | As is | in stock |
| P-502529780 | 95 | As is | by synthesis |
| P-596567382 | 97 | As is | 1000 mg |
| P-613319992 | 95 | As is | by synthesis |
| P-862532036 | N/A | As is | by synthesis |
| P-852633610 | 95 | As is | by synthesis |
| P-895277119 | 95 | As is | by synthesis |
| P-491072678 | 95 | As is | by synthesis |
| P-855249145 | 90 | As is | in stock |
| P-615419205 | 97 | As is | in stock |
| P-1270147660 | 95 | As a main component | in stock |
| P-1268946214 | 95 | As a main component | by synthesis |
| P-904524939 | 95 | As a main component | by resynthesis (? - ? days) |
| P-851687563 | N/A | As a main component | by synthesis |
| P-611107910 | 95 | As a main component | by synthesis |
| P-895485763 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.234 |
| logP | 1.0484 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 54.18 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.0001 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
