MCULE-7251606981
- 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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 94 USD | 90 | 21 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-7508466976
- Component type: Main
-
MCULE-9699124282
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7251606981.sdf |
| SMILES | MCULE-7251606981.smiles |
| Standard InChI | MCULE-7251606981.inchi |
| InChIKey | MCULE-7251606981.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-891662353 | N/A | As is | by synthesis |
| P-895103068 | N/A | As is | 550 mg |
| P-889794784 | 95 | As is | by synthesis |
| P-890852291 | 90 | As is | in stock |
| P-881190223 | 90 | As is | 50 mg |
| P-867308585 | 98 | As a main component | by synthesis |
| P-904030154 | N/A | As a main component | by synthesis |
| P-888819825 | 98 | As a main component | 40 mg |
| P-889794888 | 95 | As a main component | by synthesis |
| P-896028843 | 95 | As a main component | in stock |
| P-1263543713 | 95 | As a main component | by synthesis |
| P-611521581 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 143.184 |
| logP | -1.0013 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.4929 |
| Atoms | 23 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 13 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

