Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5124035975
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 | 15 USD | 98 | 22 working days | Get Quote |
| 5 mg | 34 USD | 98 | 22 working days | Get Quote |
| 10 mg | 41 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.
| Name | File |
|---|---|
| SDF | MCULE-5124035975.sdf |
| SMILES | MCULE-5124035975.smiles |
| Standard InChI | MCULE-5124035975.inchi |
| InChIKey | MCULE-5124035975.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867624420 | 98 | As is | in stock |
| P-875787660 | 98 | As is | in stock |
| P-505394661 | 95 | As is | by resynthesis (? - ? days) |
| P-590399513 | 98 | As is | by resynthesis (? - ? days) |
| P-580194963 | 98 | As is | in stock |
| P-903136877 | 98 | As is | 500 mg |
| P-1264048145 | 95 | As is | in stock |
| P-610975104 | 90 | As is | 46.137 g |
| P-1270333545 | 98 | As is | in stock |
| P-617044633 | 95 | As is | by resynthesis (? - ? days) |
| P-606945759 | N/A | As is | in stock |
| P-489143001 | 97 | As is | in stock |
| P-596965066 | 98 | As is | 500 mg |
| P-1273454727 | 95 | As is | by resynthesis (? - ? days) |
| P-864108686 | 95 | As is | in stock |
| P-860056660 | 98 | As is | by synthesis |
| P-868544688 | 99 | As is | in stock |
| P-580716938 | 98 | As is | 301 mg |
| P-1275107797 | N/A | As is | by resynthesis (? - ? days) |
| P-851242601 | 95 | As is | by synthesis |
| P-860798514 | 98 | As is | in stock |
| P-889032062 | 98 | As is | in stock |
| P-579479187 | 95 | As is | in stock |
| P-862073274 | 98 | As is | 500 mg |
| P-675216207 | 95 | As is | in stock |
| P-502584013 | 95 | As is | by synthesis |
| P-1273108815 | 95 | As is | 100 mg |
| P-1272597054 | 95 | As is | 100 mg |
| P-852520852 | 95 | As is | by synthesis |
| P-35162743 | 90 | As is | in stock |
| P-854721975 | 95 | As is | in stock |
| P-474026869 | 95 | As is | in stock |
| P-608274158 | 98 | As is | in stock |
| P-621704368 | 90 | As is | by synthesis |
| P-500410724 | 95 | As is | by synthesis |
| P-491318601 | 95 | As is | by synthesis |
| P-579712309 | 98 | As is | in stock |
| P-869124487 | 95 | As is | 310 mg |
| P-892290388 | 95 | As is | 259 mg |
| P-888638248 | 95 | As is | 259 mg |
| P-596714914 | 90 | As is | 10 mg |
| P-575295133 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 349.350 |
| logP | 4.481 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 45.23 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 92.9022 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
