MCULE-5448714914
- 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 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-5448714914.sdf |
| SMILES | MCULE-5448714914.smiles |
| Standard InChI | MCULE-5448714914.inchi |
| InChIKey | MCULE-5448714914.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565915 | 98 | As is | in stock |
| P-875725764 | N/A | As is | in stock |
| P-869184771 | 95 | As is | in stock |
| P-505392955 | 98 | As is | in stock |
| P-903054577 | 98 | As is | 200 g |
| P-606854970 | N/A | As is | in stock |
| P-596929170 | 98 | As is | 2.5 kg |
| P-552048552 | 95 | As is | by resynthesis (? - ? days) |
| P-864111503 | 98 | As is | in stock |
| P-481173273 | 95 | As is | 2 g |
| P-517094051 | 90 | As is | in stock |
| P-868594791 | 98 | As is | in stock |
| P-580283119 | N/A | As is | by resynthesis (? - ? days) |
| P-905336253 | 97 | As is | 455 g |
| P-861980899 | 97 | As is | 455 g |
| P-579516711 | 90 | As is | unavailable |
| P-492218354 | 95 | As is | in stock |
| P-502749046 | 90 | As is | in stock |
| P-854062755 | 90 | As is | in stock |
| P-855992955 | 98 | As is | 100 mg |
| P-524165867 | 98 | As is | 500 g |
| P-579617243 | 95 | As is | unavailable |
| P-31250011 | 90 | As is | unavailable |
| P-856041859 | 90 | As is | unavailable |
| P-613284508 | 95 | As is | by synthesis |
| P-580462663 | 97 | As is | by synthesis |
| P-852453145 | N/A | As is | in stock |
| P-428093052 | 95 | As is | 11.373 kg |
| P-854740174 | 95 | As is | in stock |
| P-26362501 | 90 | As is | 590 mg |
| P-617684616 | 90 | As is | 590 mg |
| P-868099464 | 92 | As is | in stock |
| P-500401606 | 98 | As is | by synthesis |
| P-889862439 | 95 | As is | by synthesis |
| P-519818455 | 90 | As is | in stock |
| P-896081135 | N/A | As is | 1.622 g |
| P-502353286 | 90 | As is | in stock |
| P-903628595 | 94 | As is | by resynthesis (? - ? days) |
| P-906846235 | 95 | As is | by synthesis |
| P-611378021 | 90 | As is | in stock |
| P-886922434 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 137.204 |
| logP | 2.0211 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 58.11 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.9064 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 7 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

