MCULE-7238399312-0
- 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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 41 USD | N/A | 9 working days | Get Quote |
| 10 mg | 41 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.
-
1
MCULE-8927414413-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7238399312-0.sdf |
| SMILES | MCULE-7238399312-0.smiles |
| Standard InChI | MCULE-7238399312-0.inchi |
| InChIKey | MCULE-7238399312-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892885055 | 99 | As is | in stock |
| P-890186143 | 99 | As is | in stock |
| P-895108340 | N/A | As is | 50 mg |
| P-889522433 | 95 | As is | by synthesis |
| P-896540385 | 99 | As is | in stock |
| P-869157645 | 95 | As is | unavailable |
| P-888653673 | 95 | As is | unavailable |
| P-1271663674 | 99 | As is | in stock |
| P-867616686 | 98 | Main component | in stock |
| P-875777825 | 98 | Main component | in stock |
| P-869221492 | 95 | Main component | by resynthesis (? - ? days) |
| P-606927649 | N/A | Main component | in stock |
| P-875889976 | 98 | Main component | 50 mg |
| P-896024370 | 98 | Main component | in stock |
| P-901477348 | 95 | Main component | by synthesis |
| P-1271670234 | 98 | Main component | in stock |
| P-896061399 | N/A | Main component as a main component | in stock |
| P-904981006 | 95 | Main component as a main component | by synthesis |
| P-869117963 | 95 | Main component as a main component | unavailable |
| P-892293752 | 95 | Main component as a main component | unavailable |
| P-888633096 | 95 | Main component as a main component | unavailable |
| P-892246011 | 95 | Main component as a main component | 92 mg |
| P-892332875 | 95 | Main component as a main component | 81 mg |
| P-1271664702 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1088.206 |
| logP | 7.744 |
| H-bond acceptors | 16 |
| H-bond donors | 6 |
| Rotatable bonds | 24 |
| PSA | 199.54 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 303.9002 |
| Atoms | 156 |
| Rings | 8 |
| Heavy atoms | 76 |
| Hydrogen atoms | 80 |
| Heteroatoms | 18 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |

