Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9932856941-0
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 21 USD | 98 | 22 working days | Get Quote |
| 10 mg | 30 USD | 98 | 22 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-5881787454-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9932856941-0.sdf |
| SMILES | MCULE-9932856941-0.smiles |
| Standard InChI | MCULE-9932856941-0.inchi |
| InChIKey | MCULE-9932856941-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551952 | 98 | As is | in stock |
| P-867621227 | 95 | As is | in stock |
| P-1274663544 | 98 | As is | by synthesis |
| P-875710280 | N/A | As is | in stock |
| P-869337915 | 95 | As is | by resynthesis (? - ? days) |
| P-872726600 | 98 | As is | in stock |
| P-903035712 | 98 | As is | 3 g |
| P-1264050391 | 99 | As is | in stock |
| P-610962460 | 90 | As is | 46.926 g |
| P-1270332791 | 98 | As is | in stock |
| P-489190758 | 97 | As is | in stock |
| P-596941891 | 98 | As is | 1000 mg |
| P-1273453060 | 95 | As is | by resynthesis (? - ? days) |
| P-1273460010 | 95 | As is | by resynthesis (? - ? days) |
| P-889547409 | 90 | As is | in stock |
| P-896540392 | 99 | As is | in stock |
| P-851262488 | 95 | As is | by synthesis |
| P-860799799 | 98 | As is | in stock |
| P-861511012 | 95 | As is | by synthesis |
| P-579480513 | 95 | As is | in stock |
| P-901407548 | 98 | As is | 3 g |
| P-675213778 | 95 | As is | in stock |
| P-868078642 | 95 | As is | in stock |
| P-596583673 | 97 | As is | 1 mg |
| P-854712009 | 95 | As is | in stock |
| P-474025423 | 95 | As is | in stock |
| P-608271368 | 98 | As is | in stock |
| P-878642479 | 98 | As is | in stock |
| P-579713064 | 98 | As is | in stock |
| P-892298028 | 95 | As is | unavailable |
| P-869162573 | 95 | As is | 223 mg |
| P-888657933 | 95 | As is | 223 mg |
| P-906873506 | 98 | As is | by synthesis |
| P-611359976 | 90 | As is | in stock |
| P-904063121 | 95 | As a main component | by synthesis |
| P-904222609 | 95 | As a main component | unavailable |
| P-904239033 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 486.590 |
| logP | 5.2524 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 110.86 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 148.3804 |
| Atoms | 61 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 26 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
