MCULE-7459126915-1
- 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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-7459126915-1.sdf |
| SMILES | MCULE-7459126915-1.smiles |
| Standard InChI | MCULE-7459126915-1.inchi |
| InChIKey | MCULE-7459126915-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-505347986 | 98 | As is | in stock |
| P-869273725 | 99 | As is | in stock |
| P-617060789 | N/A | As is | in stock |
| P-596928089 | 98 | As is | 7.5 kg |
| P-494346167 | 95 | As is | unavailable |
| P-864084944 | 97 | As is | in stock |
| P-481166911 | 95 | As is | 100 g |
| P-505572522 | 98 | As is | in stock |
| P-492248480 | 95 | As is | in stock |
| P-619926474 | 90 | As is | by synthesis |
| P-436472269 | 95 | As is | in stock |
| P-861276866 | 95 | As is | in stock |
| P-868576919 | 98 | As is | in stock |
| P-881680236 | N/A | As is | by resynthesis (? - ? days) |
| P-905329154 | 97 | As is | 310 g |
| P-861926646 | 97 | As is | 41.5799 kg |
| P-870653790 | N/A | As is | in stock |
| P-505491260 | 95 | As is | in stock |
| P-488543802 | 90 | As is | in stock |
| P-13422907 | 95 | As is | 300 mg |
| P-454355156 | 95 | As is | 100.502 g |
| P-454418609 | 95 | As is | 100.502 g |
| P-31131778 | 90 | As is | 500 mg |
| P-613276408 | 95 | As is | by synthesis |
| P-888726688 | 99 | As is | by synthesis |
| P-852384591 | N/A | As is | in stock |
| P-454363742 | 92 | As is | in stock |
| P-502329267 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 169.571 |
| logP | 1.1697 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 80.48 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 41.0981 |
| Atoms | 15 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| 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 |

