Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9813187086
Compound
Show structure
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 | 32 USD | 95 | 15 working days | Get Quote |
| 5 mg | 32 USD | 95 | 15 working days | Get Quote |
| 10 mg | 32 USD | 95 | 15 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.
-
1
MCULE-7040393538
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9813187086.sdf |
| SMILES | MCULE-9813187086.smiles |
| Standard InChI | MCULE-9813187086.inchi |
| InChIKey | MCULE-9813187086.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892875501 | 95 | As is | in stock |
| P-890179242 | 95 | As is | in stock |
| P-903268165 | 95 | As is | 15 g |
| P-1270355851 | 95 | As is | in stock |
| P-886886437 | N/A | As is | in stock |
| P-888825738 | 95 | As is | 15 g |
| P-1273465106 | 95 | As is | by resynthesis (? - ? days) |
| P-889787396 | 95 | As is | in stock |
| P-890243478 | 95 | As is | 5.755 g |
| P-893626981 | 95 | As is | by synthesis |
| P-905411650 | 95 | As is | 23.25 g |
| P-1275084782 | 95 | As is | 1000 mg |
| P-1272494934 | 95 | As is | in stock |
| P-906861695 | 95 | As is | by synthesis |
| P-867556308 | 97 | Main component | in stock |
| P-875715353 | 97 | Main component | in stock |
| P-1275169603 | 95 | Main component | in stock |
| P-903043196 | 97 | Main component | 15 g |
| P-893584962 | 90 | Main component | 148.19 g |
| P-1270370206 | 97 | Main component | in stock |
| P-851952167 | N/A | Main component | in stock |
| P-489192226 | 97 | Main component | in stock |
| P-619141569 | 97 | Main component | 5 g |
| P-494329654 | 95 | Main component | by resynthesis (? - ? days) |
| P-864109725 | 97 | Main component | in stock |
| P-868642923 | 97 | Main component | in stock |
| P-580432650 | 95 | Main component | by resynthesis (? - ? days) |
| P-862031314 | 97 | Main component | 10.944 g |
| P-454302790 | 90 | Main component | unavailable |
| P-856042629 | 90 | Main component | unavailable |
| P-31267677 | 90 | Main component | unavailable |
| P-852450507 | 97 | Main component | by synthesis |
| P-895220706 | 95 | Main component | in stock |
| P-888888738 | N/A | Main component | in stock |
| P-889882948 | 95 | Main component | by synthesis |
| P-904094236 | 95 | Main component | 13.7 g |
| P-502367589 | 90 | Main component | in stock |
| P-906765857 | 99 | Main component | by synthesis |
| P-611481797 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 203.664 |
| logP | 2.6648 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 44.48 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 54.0644 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
