MCULE-3049117865-0
- 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 | 10 USD | 98 | 15 working days | Get Quote |
| 5 mg | 20 USD | 98 | 15 working days | Get Quote |
| 10 mg | 20 USD | 98 | 15 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-9567672915-0
- Component type: Main
-
MCULE-6001636249-0
- Component type: Main
-
MCULE-1277665140-0
- Component type: Main
-
MCULE-4777649891-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3049117865-0.sdf |
| SMILES | MCULE-3049117865-0.smiles |
| Standard InChI | MCULE-3049117865-0.inchi |
| InChIKey | MCULE-3049117865-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892876351 | 10 | As is | in stock |
| P-890179897 | N/A | As is | in stock |
| P-903285015 | 95 | As is | 1000 mg |
| P-893606767 | 90 | As is | 2.719 g |
| P-851617147 | N/A | As is | by synthesis |
| P-868832480 | 10 | As is | 200 mg |
| P-889849522 | 95 | As is | by synthesis |
| P-590972802 | 98 | As is | by synthesis |
| P-448677953 | 90 | As is | 731 mg |
| P-425206422 | 90 | As is | in stock |
| P-524444715 | 97 | As is | 8.445 g |
| P-1263157752 | 95 | As is | by synthesis |
| P-899992503 | 95 | As is | in stock |
| P-885536164 | 95 | As is | by synthesis |
| P-869131194 | 95 | As is | by synthesis |
| P-892291959 | 95 | As is | unavailable |
| P-888642514 | 95 | As is | 65 mg |
| P-903627485 | 94 | As is | by resynthesis (? - ? days) |
| P-611452254 | 90 | As is | in stock |
| P-894010891 | 95 | As is | in stock |
| P-893145927 | N/A | As a main component | by synthesis |
| P-893184457 | N/A | As a main component | by synthesis |
| P-875725506 | N/A | As a main component | in stock |
| P-881673345 | 98 | As a main component | in stock |
| P-903054657 | 99 | As a main component | 50 g |
| P-904319999 | 90 | As a main component | 72.642 g |
| P-606855534 | N/A | As a main component | in stock |
| P-851517868 | N/A | As a main component | by synthesis |
| P-596947036 | 98 | As a main component | 250 g |
| P-864161066 | 95 | As a main component | in stock |
| P-580700685 | 98 | As a main component | 8.514 g |
| P-615689669 | 97 | As a main component | by synthesis |
| P-901467214 | 95 | As a main component | by synthesis |
| P-901467215 | 95 | As a main component | by synthesis |
| P-893226340 | 95 | As a main component | in stock |
| P-851278632 | 95 | As a main component | by synthesis |
| P-580452765 | 98 | As a main component | in stock |
| P-861514249 | 98 | As a main component | by synthesis |
| P-524440299 | 97 | As a main component | 9.736 g |
| P-873248898 | 97 | As a main component | 10 mg |
| P-873248899 | 97 | As a main component | 10 mg |
| P-856034170 | 90 | As a main component | 10 g |
| P-904058791 | 95 | As a main component | by synthesis |
| P-895196788 | 95 | As a main component | by synthesis |
| P-896628322 | 95 | As a main component | by synthesis |
| P-854712135 | 95 | As a main component | in stock |
| P-474026141 | 95 | As a main component | in stock |
| P-675100719 | 90 | As a main component | in stock |
| P-579711798 | N/A | As a main component | in stock |
| P-904221903 | 95 | As a main component | by synthesis |
| P-904238622 | 95 | As a main component | unavailable |
| P-502365859 | 90 | As a main component | in stock |
| P-906868737 | 98 | As a main component | by synthesis |
| P-617724199 | 90 | As a main component | 1.458 g |
| P-617780735 | 90 | As a main component | 1.458 g |
| P-666966517 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 399.955 |
| logP | 6.0454 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 37.39 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 121.4087 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 30 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

