MCULE-4011126778
- 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 | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 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-3273436388
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4011126778.sdf |
| SMILES | MCULE-4011126778.smiles |
| Standard InChI | MCULE-4011126778.inchi |
| InChIKey | MCULE-4011126778.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867664362 | 98 | As is | in stock |
| P-867493125 | N/A | As is | by synthesis |
| P-875833003 | N/A | As is | in stock |
| P-869180519 | 95 | As is | in stock |
| P-505390794 | 98 | As is | in stock |
| P-903209929 | 99 | As is | 3 kg |
| P-606950361 | N/A | As is | in stock |
| P-489191160 | 97 | As is | in stock |
| P-596973452 | 98 | As is | 1.5 kg |
| P-866729752 | 95 | As is | unavailable |
| P-864164158 | 98 | As is | in stock |
| P-580710799 | 98 | As is | 1.815 kg |
| P-901455834 | 95 | As is | by synthesis |
| P-4263255 | 90 | As is | 5 mg |
| P-448676831 | 90 | As is | 1.472 g |
| P-425204112 | 90 | As is | in stock |
| P-34859069 | 90 | As is | in stock |
| P-580401544 | 95 | As is | by resynthesis (? - ? days) |
| P-905345711 | 99 | As is | 1.25 kg |
| P-608220237 | 98 | As is | in stock |
| P-855379546 | 90 | As is | 25 mg |
| P-890221042 | 90 | As is | in stock |
| P-505506250 | 95 | As is | in stock |
| P-488545797 | 90 | As is | in stock |
| P-12510451 | 95 | As is | 300 mg |
| P-855992776 | 98 | As is | 100 mg |
| P-524164984 | 98 | As is | 500 g |
| P-856044051 | 90 | As is | unavailable |
| P-31175539 | 90 | As is | 500 mg |
| P-580490225 | 97 | As is | by synthesis |
| P-454370627 | 92 | As is | in stock |
| P-445284168 | 92 | As is | 300 mg |
| P-500404889 | 99 | As is | by synthesis |
| P-859998738 | 95 | As is | by synthesis |
| P-19626616 | 90 | As is | in stock |
| P-12391542 | 90 | As is | 24.242 g |
| P-502367514 | 90 | As is | in stock |
| P-888438638 | 94 | As is | by resynthesis (? - ? days) |
| P-464681665 | 90 | As is | 1000 mg |
| P-2179786 | 90 | As is | 1000 mg |
| P-615433805 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.290 |
| logP | 2.9476 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 33.45 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 71.271 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 17 |
| 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 |

