MCULE-2271425950
- 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 | 24 USD | 98 | 20 working days | Get Quote |
| 5 mg | 24 USD | 98 | 20 working days | Get Quote |
| 10 mg | 24 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-2271425950.sdf |
| SMILES | MCULE-2271425950.smiles |
| Standard InChI | MCULE-2271425950.inchi |
| InChIKey | MCULE-2271425950.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637794 | 98 | As is | in stock |
| P-875802784 | N/A | As is | in stock |
| P-590367244 | 95 | As is | in stock |
| P-903158845 | 98 | As is | 40 g |
| P-606940367 | N/A | As is | in stock |
| P-489154315 | 97 | As is | in stock |
| P-865921480 | 98 | As is | 15 g |
| P-869390608 | 95 | As is | in stock |
| P-674402243 | 98 | As is | 6.25 g |
| P-868575392 | 98 | As is | in stock |
| P-580438503 | 95 | As is | by resynthesis (? - ? days) |
| P-862025151 | 95 | As is | 39.711 g |
| P-855939252 | 97 | As is | 5 g |
| P-35234676 | 90 | As is | 1.329 kg |
| P-895220109 | 95 | As is | in stock |
| P-888872014 | N/A | As is | in stock |
| P-889873944 | 95 | As is | by synthesis |
| P-19840867 | 90 | As is | in stock |
| P-906832054 | 98 | As is | by synthesis |
| P-611376381 | 90 | As is | in stock |
| P-912235146 | 90 | As is | by synthesis |
| P-912235028 | 90 | As is | unavailable |
| P-912235178 | 90 | As is | unavailable |
| P-912235059 | 90 | As is | unavailable |
| P-912235090 | 90 | As is | unavailable |
| P-912235120 | 90 | As is | unavailable |
| P-35090384 | 90 | As is | 90 mg |
| P-872756510 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.226 |
| logP | 3.09696 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 47.58 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.308 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

