Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6646937395
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-6646937395.sdf |
| SMILES | MCULE-6646937395.smiles |
| Standard InChI | MCULE-6646937395.inchi |
| InChIKey | MCULE-6646937395.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852137199 | 95 | As is | by synthesis |
| P-889951215 | N/A | As is | by synthesis |
| P-904616919 | 95 | As is | in stock |
| P-851459326 | N/A | As is | by synthesis |
| P-901347375 | 95 | As is | by synthesis |
| P-590834819 | 95 | As is | by synthesis |
| P-504660489 | 85 | As is | 5 mg |
| P-454691996 | 90 | As is | in stock |
| P-436446355 | 95 | As is | 10 g |
| P-19950742 | 90 | As is | in stock |
| P-861534402 | 95 | As is | by synthesis |
| P-34459357 | 90 | As is | in stock |
| P-596590773 | 90 | As is | 5 g |
| P-852396951 | N/A | As is | in stock |
| P-895518722 | 95 | As is | by synthesis |
| P-885525805 | 95 | As is | by synthesis |
| P-23907443 | 90 | As is | in stock |
| P-12820580 | 90 | As is | 15 mg |
| P-22857657 | 90 | As is | in stock |
| P-888500948 | 94 | As is | by resynthesis (? - ? days) |
| P-855301806 | 90 | As is | in stock |
| P-1347137 | 90 | As is | 405 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 319.396 |
| logP | 5.3402 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 50.19 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 98.6503 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 21 |
| Heteroatoms | 3 |
| 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 |
