Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2120766837
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-1265358898
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2120766837.sdf |
| SMILES | MCULE-2120766837.smiles |
| Standard InChI | MCULE-2120766837.inchi |
| InChIKey | MCULE-2120766837.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867459057 | N/A | As is | by synthesis |
| P-612939294 | 95 | As is | in stock |
| P-851608932 | N/A | As is | by synthesis |
| P-892495960 | 90 | As is | 1000 mg |
| P-590926248 | 97 | As is | by synthesis |
| P-6984769 | 90 | As is | 50 mg |
| P-852384245 | N/A | As is | in stock |
| P-869054356 | 95 | As is | by synthesis |
| P-423756086 | 90 | As is | 50 mg |
| P-617602828 | 90 | As is | 288 mg |
| P-873216022 | 90 | As is | in stock |
| P-903639831 | 94 | As is | by resynthesis (? - ? days) |
| P-617766875 | 90 | As is | 206 mg |
| P-886626672 | 91 | Main component | in stock |
| P-889933721 | N/A | Main component | by synthesis |
| P-869361491 | 95 | Main component | in stock |
| P-903171114 | 91 | Main component | 2.5 g |
| P-851813703 | N/A | Main component | by synthesis |
| P-596494833 | 90 | Main component | unavailable |
| P-889814475 | 95 | Main component | by synthesis |
| P-591123298 | 90 | Main component | by synthesis |
| P-861393152 | 90 | Main component | by synthesis |
| P-502540772 | 95 | Main component | by synthesis |
| P-492228878 | 95 | Main component | in stock |
| P-864075391 | 95 | Main component | by synthesis |
| P-12414497 | 90 | Main component | 1000 mg |
| P-855213988 | 90 | Main component | in stock |
| P-893743304 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 270.796 |
| logP | 3.2141 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 24.5 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.3877 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
