MCULE-9774378658
- 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 | 3 USD | 98 | 14 working days | Get Quote |
| 5 mg | 3 USD | 98 | 14 working days | Get Quote |
| 10 mg | 3 USD | 98 | 14 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-8495614917
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9774378658.sdf |
| SMILES | MCULE-9774378658.smiles |
| Standard InChI | MCULE-9774378658.inchi |
| InChIKey | MCULE-9774378658.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867561551 | 98 | As is | in stock |
| P-875722125 | 98 | As is | in stock |
| P-1275188304 | 98 | As is | in stock |
| P-1275159441 | 95 | As is | in stock |
| P-903051326 | 98 | As is | 2.5 kg |
| P-905479344 | 98 | As is | 10 g |
| P-1270347193 | 98 | As is | in stock |
| P-580240179 | 95 | As is | by synthesis |
| P-606865458 | N/A | As is | in stock |
| P-489160802 | 97 | As is | in stock |
| P-596927933 | 98 | As is | 200 g |
| P-494352108 | 95 | As is | 268.98 g |
| P-1273455086 | 95 | As is | by resynthesis (? - ? days) |
| P-864184067 | 95 | As is | in stock |
| P-580710536 | 97 | As is | 2 kg |
| P-893231296 | 95 | As is | in stock |
| P-868614441 | 98 | As is | in stock |
| P-580304284 | 95 | As is | by resynthesis (? - ? days) |
| P-905348149 | 95 | As is | 400 g |
| P-505494566 | 95 | As is | in stock |
| P-488550966 | 90 | As is | in stock |
| P-454412635 | 95 | As is | 139 mg |
| P-454344440 | 95 | As is | 139 mg |
| P-856044438 | 90 | As is | unavailable |
| P-31177922 | 90 | As is | unavailable |
| P-1267083826 | 95 | As is | 250 mg |
| P-14441501 | 90 | As is | 172 mg |
| P-468059040 | 95 | As is | 172 mg |
| P-580513118 | 95 | As is | in stock |
| P-1272596480 | 95 | As is | 3 kg |
| P-852510914 | 95 | As is | by synthesis |
| P-854692086 | 95 | As is | in stock |
| P-1263155789 | 95 | As is | by synthesis |
| P-619672601 | 98 | As is | in stock |
| P-454372161 | 92 | As is | in stock |
| P-500406381 | 97 | As is | by synthesis |
| P-885528517 | 95 | As is | by synthesis |
| P-605215131 | 90 | As is | in stock |
| P-617403700 | 98 | As is | in stock |
| P-869177217 | 95 | As is | in stock |
| P-892252750 | 95 | As is | 1.001 g |
| P-892295307 | 95 | As is | 1.001 g |
| P-892337706 | 95 | As is | 1.001 g |
| P-502365843 | 90 | As is | in stock |
| P-906779832 | 98 | As is | by synthesis |
| P-611383268 | 90 | As is | in stock |
| P-35134721 | 90 | As is | 1.607 g |
| P-464681308 | 90 | As is | 1.607 g |
| P-854630747 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 188.179 |
| logP | 2.2436 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.9303 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

