MCULE-9496869216
- 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.
| Name | File |
|---|---|
| SDF | MCULE-9496869216.sdf |
| SMILES | MCULE-9496869216.smiles |
| Standard InChI | MCULE-9496869216.inchi |
| InChIKey | MCULE-9496869216.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886652099 | 97 | As is | in stock |
| P-890169033 | N/A | As is | in stock |
| P-869224449 | 95 | As is | in stock |
| P-903214491 | 97 | As is | 25 g |
| P-878259581 | N/A | As is | in stock |
| P-888824579 | 97 | As is | 25 g |
| P-870065553 | 90 | As is | 1000 mg |
| P-1263773307 | 95 | As is | by synthesis |
| P-878233360 | 97 | As is | 22.939 g |
| P-619932893 | 90 | As is | by synthesis |
| P-4417677 | 90 | As is | 63 mg |
| P-436462339 | 95 | As is | 1000 mg |
| P-861532296 | 95 | As is | by synthesis |
| P-428629340 | 90 | As is | in stock |
| P-864497275 | 90 | As is | in stock |
| P-579797910 | 90 | As is | in stock |
| P-428587937 | 90 | As is | in stock |
| P-516919650 | 95 | As is | 5.23 g |
| P-502444326 | 95 | As is | by synthesis |
| P-502681602 | 90 | As is | in stock |
| P-492215554 | 95 | As is | in stock |
| P-488548325 | 90 | As is | in stock |
| P-13561752 | 95 | As is | 300 mg |
| P-18728186 | 95 | As is | 127.832 g |
| P-454381790 | 95 | As is | 127.832 g |
| P-579665286 | 95 | As is | by resynthesis (? - ? days) |
| P-852382434 | N/A | As is | in stock |
| P-854917708 | 95 | As is | by synthesis |
| P-492274358 | 95 | As is | 5.23 g |
| P-34007227 | 90 | As is | 5.23 g |
| P-454371254 | 92 | As is | in stock |
| P-13775612 | 92 | As is | 300 mg |
| P-856065773 | 95 | As is | in stock |
| P-18856608 | 90 | As is | in stock |
| P-33807643 | 90 | As is | in stock |
| P-502340592 | 90 | As is | in stock |
| P-873064024 | 94 | As is | by resynthesis (? - ? days) |
| P-873074551 | 94 | As is | by resynthesis (? - ? days) |
| P-23322235 | 94 | As is | by resynthesis (? - ? days) |
| P-873058782 | 94 | As is | by resynthesis (? - ? days) |
| P-906809860 | 97 | As is | by synthesis |
| P-855236884 | 90 | As is | in stock |
| P-464683392 | 90 | As is | 1.004 g |
| P-2224076 | 90 | As is | 1.004 g |
| P-893998174 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 299.345 |
| logP | 2.1992 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 92.29 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 76.5318 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

