MCULE-5387859668
- 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 | 36 USD | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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-6965129161
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5387859668.sdf |
| SMILES | MCULE-5387859668.smiles |
| Standard InChI | MCULE-5387859668.inchi |
| InChIKey | MCULE-5387859668.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637196 | 95 | As is | in stock |
| P-875802450 | N/A | As is | in stock |
| P-595216252 | 95 | As is | in stock |
| P-903158026 | 95 | As is | 50 mg |
| P-851649303 | N/A | As is | by synthesis |
| P-895101062 | 95 | As is | 450 mg |
| P-889519930 | 95 | As is | by synthesis |
| P-590868586 | 95 | As is | by synthesis |
| P-577174964 | 90 | As is | by synthesis |
| P-436463685 | 95 | As is | in stock |
| P-34854053 | 90 | As is | in stock |
| P-887114534 | 95 | As is | in stock |
| P-502459507 | 95 | As is | by synthesis |
| P-502933458 | 90 | As is | in stock |
| P-492227679 | 95 | As is | in stock |
| P-18683687 | 90 | As is | unavailable |
| P-852434183 | N/A | As is | in stock |
| P-35267516 | 90 | As is | 57 g |
| P-854714407 | 95 | As is | in stock |
| P-584616922 | 95 | As is | in stock |
| P-491181430 | 95 | As is | by synthesis |
| P-19806614 | 90 | As is | in stock |
| P-23343952 | 90 | As is | in stock |
| P-502387632 | 90 | As is | in stock |
| P-903624459 | 94 | As is | by resynthesis (? - ? days) |
| P-888220737 | 90 | As is | 7 mg |
| P-611365909 | 90 | As is | in stock |
| P-611464689 | 90 | As is | in stock |
| P-424756891 | 90 | As is | 31 mg |
| P-893664581 | 95 | As is | by synthesis |
| P-886601995 | 98 | As a main component | in stock |
| P-890155277 | N/A | As a main component | in stock |
| P-851894172 | N/A | As a main component | by synthesis |
| P-591043011 | 98 | As a main component | by synthesis |
| P-901429267 | 95 | As a main component | by synthesis |
| P-854711060 | 95 | As a main component | by synthesis |
| P-904369102 | 95 | As a main component | in stock |
| P-33254646 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 221.645 |
| logP | 2.505 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 76.72 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 58.7851 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

