Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5497357194-1
Structure
Show compound
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 | 36 USD | 95 | 15 working days | Get Quote |
| 5 mg | 67 USD | 95 | 15 working days | Get Quote |
| 10 mg | 98 USD | 95 | 15 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1115424428-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5497357194-1.sdf |
| SMILES | MCULE-5497357194-1.smiles |
| Standard InChI | MCULE-5497357194-1.inchi |
| InChIKey | MCULE-5497357194-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904756828 | N/A | As is | by synthesis |
| P-905562200 | 95 | As is | by synthesis |
| P-427891048 | 95 | As is | 300 mg |
| P-852381966 | N/A | As is | in stock |
| P-675080504 | 90 | As is | in stock |
| P-617730147 | 90 | As is | 1.09 g |
| P-875763676 | N/A | Main component | in stock |
| P-874608801 | 97 | Main component | in stock |
| P-590361650 | 95 | Main component | in stock |
| P-851856181 | N/A | Main component | by synthesis |
| P-596339918 | 90 | Main component | 1000 mg |
| P-596488800 | 90 | Main component | 1000 mg |
| P-591137471 | 95 | Main component | by synthesis |
| P-893235455 | 95 | Main component | in stock |
| P-605409473 | 90 | Main component | 5 mg |
| P-454754913 | 90 | Main component | in stock |
| P-454694261 | 90 | Main component | in stock |
| P-436447419 | 95 | Main component | in stock |
| P-34801841 | 90 | Main component | in stock |
| P-580775132 | 90 | Main component | by resynthesis (? - ? days) |
| P-580764617 | 90 | Main component | in stock |
| P-502448924 | 95 | Main component | by synthesis |
| P-12397808 | 95 | Main component | 123 mg |
| P-454304377 | 90 | Main component | 1.881 g |
| P-580496471 | 95 | Main component | by synthesis |
| P-852397716 | N/A | Main component | in stock |
| P-854859953 | 95 | Main component | by synthesis |
| P-856063592 | 95 | Main component | in stock |
| P-12353107 | 90 | Main component | 19 mg |
| P-33464454 | 90 | Main component | in stock |
| P-502331290 | 90 | Main component | in stock |
| P-903637565 | 94 | Main component | by resynthesis (? - ? days) |
| P-893841110 | 95 | Main component | by synthesis |
| P-617594453 | 90 | Main component as a main component | 231 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 317.254 |
| logP | 4.2275 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 47.08 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 92.8684 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
