MCULE-3980704653
- 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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-3980704653.sdf |
| SMILES | MCULE-3980704653.smiles |
| Standard InChI | MCULE-3980704653.inchi |
| InChIKey | MCULE-3980704653.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570830 | 97 | As is | in stock |
| P-875731467 | N/A | As is | in stock |
| P-869188719 | 95 | As is | in stock |
| P-590379697 | 98 | As is | in stock |
| P-903060750 | 98 | As is | 8 kg |
| P-606946667 | N/A | As is | in stock |
| P-489132599 | 97 | As is | in stock |
| P-596949648 | 98 | As is | 12 kg |
| P-864187278 | 98 | As is | in stock |
| P-580733030 | 97 | As is | 1.735 kg |
| P-3308660 | 90 | As is | 312 mg |
| P-425207631 | 90 | As is | in stock |
| P-868609987 | 99 | As is | in stock |
| P-34601986 | 90 | As is | by synthesis |
| P-905350058 | 98 | As is | 1.202 kg |
| P-862057006 | 98 | As is | 1.202 kg |
| P-500417054 | 98 | As is | in stock |
| P-505491924 | 95 | As is | in stock |
| P-488545537 | 90 | As is | in stock |
| P-13361999 | 95 | As is | 300 mg |
| P-855997065 | 95 | As is | 100 mg |
| P-524195567 | 95 | As is | 1000 g |
| P-856045113 | 90 | As is | unavailable |
| P-31134187 | 90 | As is | unavailable |
| P-854754468 | 95 | As is | in stock |
| P-454370514 | 92 | As is | in stock |
| P-885528638 | 95 | As is | by synthesis |
| P-19548563 | 90 | As is | in stock |
| P-22765968 | 90 | As is | in stock |
| P-502328629 | 90 | As is | in stock |
| P-903628062 | 94 | As is | by resynthesis (? - ? days) |
| P-1109625 | 90 | As is | 1.25 g |
| P-464681698 | 90 | As is | 1.25 g |
| P-666973880 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.303 |
| logP | 3.927 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 94.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 67.1888 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

