MCULE-1679778252-0
- 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 | N/A | 9 working days | Get Quote |
| 5 mg | 30 USD | N/A | 9 working days | Get Quote |
| 10 mg | 47 USD | N/A | 9 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-1679778252-0.sdf |
| SMILES | MCULE-1679778252-0.smiles |
| Standard InChI | MCULE-1679778252-0.inchi |
| InChIKey | MCULE-1679778252-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616521 | 98 | As is | in stock |
| P-875777745 | N/A | As is | in stock |
| P-595215940 | 98 | As is | in stock |
| P-903120794 | 99 | As is | 750 mg |
| P-1264050327 | 95 | As is | in stock |
| P-893473116 | 90 | As is | 91.652 g |
| P-851931592 | N/A | As is | in stock |
| P-489168868 | 97 | As is | in stock |
| P-865915963 | 99 | As is | 750 mg |
| P-580195861 | 98 | As is | in stock |
| P-864155873 | 95 | As is | in stock |
| P-608390351 | 98 | As is | 470 mg |
| P-901459479 | 95 | As is | by synthesis |
| P-851260965 | 95 | As is | by synthesis |
| P-860799164 | 98 | As is | in stock |
| P-868571378 | 97 | As is | in stock |
| P-579479679 | 95 | As is | in stock |
| P-868078544 | 95 | As is | in stock |
| P-524166810 | 95 | As is | 100 mg |
| P-854711703 | 95 | As is | in stock |
| P-474025018 | 95 | As is | in stock |
| P-608271868 | 98 | As is | in stock |
| P-889882102 | 95 | As is | by synthesis |
| P-594274415 | 95 | As is | by synthesis |
| P-892295938 | 95 | As is | unavailable |
| P-888656843 | 95 | As is | 114 mg |
| P-906808789 | 98 | As is | by synthesis |
| P-893994139 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 383.326 |
| logP | 4.548 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 108.04 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 86.8214 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 9 |
| Heteroatoms | 11 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

