Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8763106508
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 | 39 USD | 95 | 7 working days | Get Quote |
| 5 mg | 94 USD | 95 | 7 working days | Get Quote |
| 10 mg | 121 USD | 95 | 7 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-9139758417
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8763106508.sdf |
| SMILES | MCULE-8763106508.smiles |
| Standard InChI | MCULE-8763106508.inchi |
| InChIKey | MCULE-8763106508.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693495 | N/A | As is | in stock |
| P-875873144 | N/A | As is | in stock |
| P-874606833 | 98 | As is | by resynthesis (? - ? days) |
| P-903366197 | 98 | As is | 50 mg |
| P-1272347348 | 99 | As is | in stock |
| P-893527398 | 90 | As is | 14.734 g |
| P-1270290568 | 98 | As is | in stock |
| P-1264206393 | N/A | As is | by synthesis |
| P-865937977 | 98 | As is | 50 mg |
| P-1273450602 | 95 | As is | by resynthesis (? - ? days) |
| P-864191686 | 95 | As is | in stock |
| P-1264195943 | 98 | As is | by synthesis |
| P-901428470 | 95 | As is | by synthesis |
| P-861378779 | 95 | As is | by synthesis |
| P-901408683 | 98 | As is | 50 mg |
| P-873243144 | 97 | As is | 5 mg |
| P-854717576 | 95 | As is | in stock |
| P-888172059 | 98 | As is | by synthesis |
| P-873278738 | N/A | As is | in stock |
| P-892298879 | 95 | As is | unavailable |
| P-869163112 | 95 | As is | 151 mg |
| P-888658516 | 95 | As is | 151 mg |
| P-1271707254 | 98 | As is | in stock |
| P-27870949 | 90 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 284.742 |
| logP | 4.5716 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 63.83 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 83.4621 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
