MCULE-1536657444-0
- 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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-1536657444-0.sdf |
| SMILES | MCULE-1536657444-0.smiles |
| Standard InChI | MCULE-1536657444-0.inchi |
| InChIKey | MCULE-1536657444-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867589632 | 97 | As is | in stock |
| P-875749464 | 97 | As is | in stock |
| P-1275170056 | 98 | As is | in stock |
| P-1275145657 | 95 | As is | in stock |
| P-905483513 | 97 | As is | 100 g |
| P-893512066 | 90 | As is | 2.15384 kg |
| P-1270314303 | 97 | As is | in stock |
| P-606935399 | N/A | As is | in stock |
| P-489108861 | 97 | As is | in stock |
| P-596955706 | 97 | As is | 200 g |
| P-494400185 | 95 | As is | by resynthesis (? - ? days) |
| P-864086066 | 97 | As is | in stock |
| P-580722161 | 97 | As is | 256.25 g |
| P-1275104766 | N/A | As is | by resynthesis (? - ? days) |
| P-851273350 | 95 | As is | by synthesis |
| P-868592920 | 98 | As is | in stock |
| P-580371631 | N/A | As is | by resynthesis (? - ? days) |
| P-580310960 | 95 | As is | by resynthesis (? - ? days) |
| P-580375152 | N/A | As is | by resynthesis (? - ? days) |
| P-505627271 | 95 | As is | in stock |
| P-905332917 | 97 | As is | 245.25 g |
| P-861963445 | 97 | As is | 739.629 g |
| P-502529219 | 95 | As is | by synthesis |
| P-524161599 | 98 | As is | 25 g |
| P-856005481 | 98 | As is | 100 mg |
| P-860789226 | N/A | As is | by synthesis |
| P-1272592919 | 97 | As is | 300 g |
| P-852490647 | 97 | As is | by synthesis |
| P-1267010139 | 95 | As is | in stock |
| P-621733436 | 90 | As is | by synthesis |
| P-889879483 | 95 | As is | by synthesis |
| P-596754195 | 95 | As is | 764.4 g |
| P-22450357 | 90 | As is | 136 mg |
| P-906753519 | 97 | As is | by synthesis |
| P-611380267 | 90 | As is | in stock |
| P-1271637844 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.210 |
| logP | 1.5946 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 63.6 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.6928 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| 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 |

