Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9871082645-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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.
-
1
MCULE-8509877241-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9871082645-0.sdf |
| SMILES | MCULE-9871082645-0.smiles |
| Standard InChI | MCULE-9871082645-0.inchi |
| InChIKey | MCULE-9871082645-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867526334 | N/A | As is | by synthesis |
| P-901224193 | N/A | As is | by synthesis |
| P-903293234 | 97 | As is | 75 g |
| P-904336211 | 90 | As is | 200 g |
| P-900250081 | 97 | As is | 200 g |
| P-901333759 | 95 | As is | in stock |
| P-901458328 | 95 | As is | by synthesis |
| P-580297326 | 95 | As is | by resynthesis (? - ? days) |
| P-856042807 | 90 | As is | 10 g |
| P-31161513 | 90 | As is | 10 g |
| P-874438181 | 95 | As is | by synthesis |
| P-873281389 | N/A | As is | in stock |
| P-502328809 | 90 | As is | in stock |
| P-611365842 | 90 | As is | in stock |
| P-867560847 | 98 | Main component | in stock |
| P-890143286 | N/A | Main component | in stock |
| P-597016178 | 98 | Main component | in stock |
| P-617063801 | N/A | Main component | in stock |
| P-489139398 | 97 | Main component | in stock |
| P-864126737 | 95 | Main component | in stock |
| P-889739966 | 95 | Main component | 30 g |
| P-901457863 | 95 | Main component | by synthesis |
| P-619929670 | 90 | Main component | by synthesis |
| P-868554543 | 98 | Main component | in stock |
| P-580421049 | 95 | Main component | by resynthesis (? - ? days) |
| P-890218891 | 90 | Main component | in stock |
| P-590341330 | 90 | Main component | 14 g |
| P-505491177 | 95 | Main component | in stock |
| P-504609307 | 90 | Main component | by synthesis |
| P-492217383 | 95 | Main component | in stock |
| P-488548454 | 90 | Main component | in stock |
| P-856042806 | 90 | Main component | unavailable |
| P-31138882 | 90 | Main component | unavailable |
| P-613281589 | 95 | Main component | by synthesis |
| P-895220684 | 95 | Main component | in stock |
| P-12391317 | 90 | Main component | 1.909 g |
| P-492274393 | 95 | Main component | 1.909 g |
| P-454367478 | 92 | Main component | in stock |
| P-19554054 | 90 | Main component | in stock |
| P-502326501 | 90 | Main component | in stock |
| P-903644808 | 94 | Main component | by resynthesis (? - ? days) |
| P-906766544 | 98 | Main component | by synthesis |
| P-611398328 | 90 | Main component | in stock |
| P-855010097 | 90 | Main component | in stock |
| P-855010098 | 90 | Main component | in stock |
| P-480884582 | 95 | Main component | in stock |
| P-867572565 | 98 | Main component as a main component | in stock |
| P-875732933 | N/A | Main component as a main component | in stock |
| P-588246186 | 98 | Main component as a main component | in stock |
| P-903062423 | 97 | Main component as a main component | 4 kg |
| P-580240054 | 95 | Main component as a main component | by synthesis |
| P-489145953 | 97 | Main component as a main component | in stock |
| P-596950061 | 98 | Main component as a main component | 2 kg |
| P-864140482 | 98 | Main component as a main component | in stock |
| P-901457915 | 95 | Main component as a main component | by synthesis |
| P-851282289 | 95 | Main component as a main component | by synthesis |
| P-580421051 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-870657696 | N/A | Main component as a main component | in stock |
| P-505530181 | 95 | Main component as a main component | in stock |
| P-852444188 | N/A | Main component as a main component | in stock |
| P-904639559 | 95 | Main component as a main component | in stock |
| P-611491667 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 216.681 |
| logP | 2.4311 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.7237 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
