MCULE-5017248906
- 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 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5017248906.sdf |
| SMILES | MCULE-5017248906.smiles |
| Standard InChI | MCULE-5017248906.inchi |
| InChIKey | MCULE-5017248906.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576078 | 98 | As is | in stock |
| P-875735794 | 98 | As is | in stock |
| P-1275176988 | 98 | As is | in stock |
| P-1275154485 | 95 | As is | in stock |
| P-903066007 | 98 | As is | 500 g |
| P-905477588 | 97 | As is | 1000 g |
| P-580245641 | 95 | As is | by synthesis |
| P-617067180 | 95 | As is | in stock |
| P-606943955 | N/A | As is | in stock |
| P-489135379 | 97 | As is | in stock |
| P-596983400 | 98 | As is | 300 g |
| P-494345791 | 95 | As is | 1.6 g |
| P-864111007 | 95 | As is | in stock |
| P-889740267 | 95 | As is | 50 g |
| P-580707247 | 98 | As is | 780 g |
| P-893234754 | 95 | As is | in stock |
| P-454657731 | 90 | As is | in stock |
| P-851255985 | 95 | As is | by synthesis |
| P-868577493 | 98 | As is | in stock |
| P-580279964 | 95 | As is | by resynthesis (? - ? days) |
| P-905331659 | 97 | As is | 161 g |
| P-901368169 | 97 | As is | 85.729 g |
| P-505519256 | 95 | As is | in stock |
| P-454398813 | 95 | As is | 32.115 g |
| P-454312092 | 95 | As is | 135 mg |
| P-31253284 | 90 | As is | unavailable |
| P-613281747 | 95 | As is | by synthesis |
| P-1272581702 | 95 | As is | 4 kg |
| P-852444437 | 95 | As is | by synthesis |
| P-854740889 | 95 | As is | in stock |
| P-500374195 | 98 | As is | by synthesis |
| P-889871893 | 95 | As is | by synthesis |
| P-596785900 | 98 | As is | 135 g |
| P-22522299 | 90 | As is | 189 mg |
| P-906775079 | 95 | As is | by synthesis |
| P-611402779 | 90 | As is | in stock |
| P-611402575 | 90 | As is | in stock |
| P-1271635927 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.146 |
| logP | 2.3206 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 62.89 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.4585 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

