MCULE-9577753530
- 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 | 266 USD | 95 | 22 working days | Get Quote |
| 5 mg | 266 USD | 95 | 22 working days | Get Quote |
| 10 mg | 266 USD | 95 | 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-6729285657
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9577753530.sdf |
| SMILES | MCULE-9577753530.smiles |
| Standard InChI | MCULE-9577753530.inchi |
| InChIKey | MCULE-9577753530.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886691795 | 95 | As is | in stock |
| P-889993086 | N/A | As is | by synthesis |
| P-894668460 | 95 | As is | in stock |
| P-903259153 | 95 | As is | 2.5 g |
| P-610919634 | 90 | As is | by synthesis |
| P-851590163 | N/A | As is | by synthesis |
| P-590826401 | 95 | As is | by synthesis |
| P-901458835 | 95 | As is | by synthesis |
| P-854878460 | 95 | As is | by synthesis |
| P-611569741 | 90 | As is | in stock |
| P-893737231 | 95 | As is | by synthesis |
| P-886835960 | 95 | As a main component | in stock |
| P-890108339 | N/A | As a main component | by synthesis |
| P-903444537 | 95 | As a main component | 2.5 g |
| P-893866002 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 159.183 |
| logP | -0.5344 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 60.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.3936 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

