MCULE-4363078028
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
-
MCULE-6723416687
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4363078028.sdf |
| SMILES | MCULE-4363078028.smiles |
| Standard InChI | MCULE-4363078028.inchi |
| InChIKey | MCULE-4363078028.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852077671 | N/A | As is | by synthesis |
| P-875750089 | N/A | As is | in stock |
| P-894663696 | 95 | As is | in stock |
| P-904312082 | 90 | As is | 12.955 g |
| P-851823183 | N/A | As is | by synthesis |
| P-596301986 | 90 | As is | 903 mg |
| P-596487477 | 90 | As is | 903 mg |
| P-905461587 | 95 | As is | in stock |
| P-591079489 | 95 | As is | by synthesis |
| P-427951921 | 90 | As is | 1 mg |
| P-454632223 | 90 | As is | in stock |
| P-15143104 | 90 | As is | 59.995 g |
| P-436441102 | 90 | As is | 16.485 g |
| P-298276 | 90 | As is | 1.053 g |
| P-436454090 | 95 | As is | in stock |
| P-34892634 | 90 | As is | in stock |
| P-887112869 | 95 | As is | in stock |
| P-34637839 | 90 | As is | by synthesis |
| P-862063894 | 95 | As is | 2.954 g |
| P-890204312 | 90 | As is | 731 mg |
| P-579483874 | 90 | As is | 731 mg |
| P-502530929 | 95 | As is | by synthesis |
| P-488545566 | 90 | As is | in stock |
| P-12861235 | 95 | As is | 300 mg |
| P-454360742 | 90 | As is | unavailable |
| P-467882967 | 95 | As is | by synthesis |
| P-601068758 | 90 | As is | 191 mg |
| P-852383346 | N/A | As is | in stock |
| P-895896295 | 95 | As is | in stock |
| P-454365898 | 92 | As is | in stock |
| P-13350548 | 92 | As is | 300 mg |
| P-859956157 | 95 | As is | by synthesis |
| P-424836660 | 90 | As is | in stock |
| P-22615251 | 90 | As is | in stock |
| P-502335985 | 90 | As is | in stock |
| P-888428915 | 94 | As is | by resynthesis (? - ? days) |
| P-855247546 | 90 | As is | in stock |
| P-1028274 | 90 | As is | 1.731 g |
| P-3224056 | 90 | As is | 1.731 g |
| P-896173371 | 90 | As a main component | 12 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 234.251 |
| logP | 2.5166 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 77.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.2816 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

