MCULE-7286604863-0
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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.
| Name | File |
|---|---|
| SDF | MCULE-7286604863-0.sdf |
| SMILES | MCULE-7286604863-0.smiles |
| Standard InChI | MCULE-7286604863-0.inchi |
| InChIKey | MCULE-7286604863-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903061074 | 98 | As is | 200 g |
| P-1264047278 | 95 | As is | in stock |
| P-893463497 | 90 | As is | 993.382 g |
| P-900154344 | 99 | As is | in stock |
| P-505572715 | 98 | As is | in stock |
| P-505591343 | 95 | As is | in stock |
| P-452655977 | 98 | As is | in stock |
| P-851247329 | 95 | As is | by synthesis |
| P-868648420 | 98 | As is | in stock |
| P-905326882 | 98 | As is | 1.95 g |
| P-861976256 | 98 | As is | 200 g |
| P-852443263 | 95 | As is | by synthesis |
| P-1275597186 | 95 | As is | in stock |
| P-854693893 | 95 | As is | in stock |
| P-474021907 | 95 | As is | in stock |
| P-608276938 | 98 | As is | in stock |
| P-1263955885 | 90 | As is | in stock |
| P-579710047 | 98 | As is | in stock |
| P-1273269902 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-1274838627 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-893248808 | 95 | As an isomer | by synthesis |
| P-579478088 | 95 | As an isomer | in stock |
| P-500417201 | 95 | As an isomer | in stock |
| P-608080831 | 98 | As an isomer | in stock |
| P-856029790 | 90 | As an isomer | unavailable |
| P-580507387 | N/A | As an isomer | by synthesis |
| P-35189415 | 90 | As an isomer | in stock |
| P-885530824 | 95 | As an isomer | by synthesis |
| P-23969993 | 90 | As an isomer | in stock |
| P-873028781 | 90 | As an isomer | 227 mg |
| P-1272939046 | 94 | As an isomer | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.351 |
| logP | 2.0796 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 81.42 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 95.3148 |
| Atoms | 42 |
| Rings | 5 |
| Heavy atoms | 26 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

