Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9452209918
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 19 USD | 98 | 22 working days | Get Quote |
| 10 mg | 26 USD | 98 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-9452209918.sdf |
| SMILES | MCULE-9452209918.smiles |
| Standard InChI | MCULE-9452209918.inchi |
| InChIKey | MCULE-9452209918.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679971 | 98 | As is | in stock |
| P-875858854 | N/A | As is | in stock |
| P-869203401 | 95 | As is | in stock |
| P-903312205 | 98 | As is | 10 g |
| P-1264051600 | 95 | As is | in stock |
| P-893607606 | 90 | As is | 14.389 g |
| P-606896316 | N/A | As is | in stock |
| P-868835325 | 98 | As is | 10 g |
| P-872727416 | 98 | As is | in stock |
| P-864190992 | 95 | As is | in stock |
| P-584627621 | 98 | As is | 1.35 g |
| P-901540968 | 95 | As is | by synthesis |
| P-868361654 | 95 | As is | by synthesis |
| P-861366731 | 95 | As is | by synthesis |
| P-579481972 | 95 | As is | in stock |
| P-901410675 | 98 | As is | 10 g |
| P-868078467 | 95 | As is | in stock |
| P-855927687 | 97 | As is | 1000 mg |
| P-854720637 | 95 | As is | in stock |
| P-584621267 | 95 | As is | in stock |
| P-878641869 | 98 | As is | in stock |
| P-617404243 | N/A | As is | in stock |
| P-869160805 | 95 | As is | by synthesis |
| P-892294815 | 95 | As is | unavailable |
| P-888656033 | 95 | As is | 202 mg |
| P-611429405 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 345.483 |
| logP | 3.824 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 94.77 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.778 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 19 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
