MCULE-9730823286
- 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 | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 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-9730823286.sdf |
| SMILES | MCULE-9730823286.smiles |
| Standard InChI | MCULE-9730823286.inchi |
| InChIKey | MCULE-9730823286.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867568555 | 98 | As is | in stock |
| P-875728720 | N/A | As is | in stock |
| P-869187116 | 95 | As is | in stock |
| P-579761900 | 98 | As is | in stock |
| P-903057742 | 99 | As is | 242 kg |
| P-905480202 | 98 | As is | 1000 g |
| P-606887539 | N/A | As is | in stock |
| P-596948381 | 98 | As is | 100 kg |
| P-864160524 | 95 | As is | in stock |
| P-584627910 | 98 | As is | 8.875 kg |
| P-868614742 | 95 | As is | in stock |
| P-905345470 | 95 | As is | 3.9 kg |
| P-870663068 | 98 | As is | in stock |
| P-893288991 | 90 | As is | in stock |
| P-890203043 | 90 | As is | 100 mg |
| P-502945819 | 90 | As is | in stock |
| P-579690407 | 99 | As is | by resynthesis (? - ? days) |
| P-856040511 | 90 | As is | 10 g |
| P-31273714 | 90 | As is | 10 g |
| P-468068717 | 95 | As is | unavailable |
| P-852465510 | N/A | As is | in stock |
| P-854720449 | 95 | As is | in stock |
| P-584626434 | 95 | As is | in stock |
| P-621858671 | 90 | As is | by synthesis |
| P-885550299 | 95 | As is | by synthesis |
| P-502368019 | 90 | As is | in stock |
| P-906900433 | 99 | As is | in stock |
| P-854991901 | 90 | As is | in stock |
| P-893946304 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.225 |
| logP | -0.9792 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 68.15 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 46.1486 |
| Atoms | 31 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 18 |
| 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 |

