MCULE-9680690573-0
- 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 | 2 USD | 98 | 14 working days | Get Quote |
| 5 mg | 2 USD | 98 | 14 working days | Get Quote |
| 10 mg | 2 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-9768796869-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9680690573-0.sdf |
| SMILES | MCULE-9680690573-0.smiles |
| Standard InChI | MCULE-9680690573-0.inchi |
| InChIKey | MCULE-9680690573-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867574601 | 95 | As is | in stock |
| P-867492426 | N/A | As is | by synthesis |
| P-875735162 | N/A | As is | in stock |
| P-869192910 | 95 | As is | in stock |
| P-505353370 | 98 | As is | in stock |
| P-903064891 | 98 | As is | 1000 g |
| P-905483066 | 98 | As is | 1000 g |
| P-580238387 | 95 | As is | by synthesis |
| P-606930721 | N/A | As is | in stock |
| P-606859336 | N/A | As is | in stock |
| P-596950628 | 98 | As is | 5 kg |
| P-864085155 | 97 | As is | in stock |
| P-580734764 | 98 | As is | 1.242 kg |
| P-893258208 | 95 | As is | by synthesis |
| P-505576071 | 98 | As is | in stock |
| P-868578290 | 98 | As is | in stock |
| P-580295062 | 95 | As is | by resynthesis (? - ? days) |
| P-505628267 | 95 | As is | in stock |
| P-870654755 | N/A | As is | in stock |
| P-505511890 | 95 | As is | in stock |
| P-900307903 | 95 | As is | by synthesis |
| P-502768305 | 90 | As is | in stock |
| P-500165636 | 96 | As is | in stock |
| P-18820122 | 90 | As is | 13.261 g |
| P-454400085 | 90 | As is | 13.261 g |
| P-579618014 | 97 | As is | unavailable |
| P-854729338 | 95 | As is | in stock |
| P-12377533 | 90 | As is | 2.818 g |
| P-888858411 | N/A | As is | in stock |
| P-889885314 | 95 | As is | by synthesis |
| P-613816801 | 95 | As is | in stock |
| P-502370449 | 90 | As is | in stock |
| P-23334842 | 94 | As is | by resynthesis (? - ? days) |
| P-611491203 | 90 | As is | in stock |
| P-868498973 | 95 | As is | in stock |
| P-851718640 | N/A | As a main component | by synthesis |
| P-611120807 | 95 | As a main component | by synthesis |
| P-895815751 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 142.181 |
| logP | 0.4918 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 71.05 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 36.5787 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| 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 |

