Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2425344927
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 | 36 USD | 99 | 12 working days | Get Quote |
| 5 mg | 36 USD | 99 | 12 working days | Get Quote |
| 10 mg | 36 USD | 99 | 12 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-9639307076
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2425344927.sdf |
| SMILES | MCULE-2425344927.smiles |
| Standard InChI | MCULE-2425344927.inchi |
| InChIKey | MCULE-2425344927.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264055833 | 99 | As is | in stock |
| P-864201448 | 95 | As is | in stock |
| P-500417270 | 98 | As is | in stock |
| P-596562642 | 97 | As is | 25 g |
| P-675131282 | 90 | As is | in stock |
| P-906771456 | 98 | As is | by synthesis |
| P-617792607 | 90 | As is | 113 mg |
| P-867646393 | N/A | Main component | in stock |
| P-1265853165 | N/A | Main component | in stock |
| P-1264053095 | 99 | Main component | in stock |
| P-1264059426 | 99 | Main component | in stock |
| P-869741200 | 90 | Main component | 131 mg |
| P-901520132 | 95 | Main component | by synthesis |
| P-901550333 | 95 | Main component | by synthesis |
| P-454733677 | 90 | Main component | in stock |
| P-436473502 | 95 | Main component | in stock |
| P-578505260 | 90 | Main component | in stock |
| P-500417269 | 99 | Main component | in stock |
| P-890209455 | 90 | Main component | in stock |
| P-855371203 | 90 | Main component | in stock |
| P-596577438 | 95 | Main component | 100 mg |
| P-873246557 | 90 | Main component | 10 mg |
| P-856043768 | 90 | Main component | unavailable |
| P-859981200 | 95 | Main component | by synthesis |
| P-23969895 | 90 | Main component | in stock |
| P-33162205 | 90 | Main component | 206 mg |
| P-1272898339 | 94 | Main component | by resynthesis (? - ? days) |
| P-906841652 | 98 | Main component | by synthesis |
| P-906779364 | 98 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 430.552 |
| logP | 2.114 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 100.82 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.8209 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 39 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 11 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 11 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
