Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8970781878-0
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 | 17 USD | 98 | 20 working days | Get Quote |
| 5 mg | 17 USD | 98 | 20 working days | Get Quote |
| 10 mg | 17 USD | 98 | 20 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-9715160196-0
- Component type: Main
-
1
MCULE-7728164114-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8970781878-0.sdf |
| SMILES | MCULE-8970781878-0.smiles |
| Standard InChI | MCULE-8970781878-0.inchi |
| InChIKey | MCULE-8970781878-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886576473 | 95 | As is | in stock |
| P-889911437 | N/A | As is | by synthesis |
| P-904530622 | 95 | As is | in stock |
| P-903097511 | 95 | As is | 1000 mg |
| P-851545428 | N/A | As is | by synthesis |
| P-596932179 | 95 | As is | 6 g |
| P-869396226 | 95 | As is | by synthesis |
| P-890227578 | 95 | As is | by synthesis |
| P-1263485523 | 95 | As is | by synthesis |
| P-861387218 | 95 | As is | by synthesis |
| P-596577172 | 95 | As is | 1000 mg |
| P-895625112 | 95 | As is | by synthesis |
| P-906839850 | 95 | As is | by synthesis |
| P-611422714 | 90 | As is | in stock |
| P-615409328 | 95 | As is | in stock |
| P-867571728 | 98 | Main component as a main component | in stock |
| P-875731945 | N/A | Main component as a main component | in stock |
| P-590410899 | 95 | Main component as a main component | in stock |
| P-903061253 | 98 | Main component as a main component | 125 g |
| P-489240166 | 97 | Main component as a main component | in stock |
| P-596987647 | 98 | Main component as a main component | 200 g |
| P-864197613 | 95 | Main component as a main component | in stock |
| P-619605297 | 98 | Main component as a main component | 6 g |
| P-868615783 | 98 | Main component as a main component | in stock |
| P-580301818 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-596572762 | 97 | Main component as a main component | 1000 mg |
| P-856010443 | 90 | Main component as a main component | 10 g |
| P-885540741 | 95 | Main component as a main component | by synthesis |
| P-906775407 | 98 | Main component as a main component | by synthesis |
| P-855351756 | 90 | Main component as a main component | in stock |
| P-615412618 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 181.702 |
| logP | -2.1408 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.0712 |
| Atoms | 31 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
