Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3983485757
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-9512576726
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3983485757.sdf |
| SMILES | MCULE-3983485757.smiles |
| Standard InChI | MCULE-3983485757.inchi |
| InChIKey | MCULE-3983485757.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560578 | 98 | As is | in stock |
| P-875720381 | N/A | As is | in stock |
| P-881663327 | 95 | As is | in stock |
| P-590367242 | 98 | As is | in stock |
| P-903049227 | 98 | As is | 300 g |
| P-851526244 | N/A | As is | by synthesis |
| P-596987349 | 98 | As is | 40 g |
| P-864305135 | 95 | As is | by synthesis |
| P-590851589 | 98 | As is | by synthesis |
| P-893220244 | 95 | As is | in stock |
| P-868607015 | 98 | As is | in stock |
| P-889436290 | 95 | As is | 89.97 g |
| P-596578774 | 97 | As is | 25 g |
| P-588252215 | N/A | As is | by synthesis |
| P-885550166 | 95 | As is | by synthesis |
| P-502335773 | 90 | As is | in stock |
| P-22454959 | 90 | As is | 1000 mg |
| P-906770121 | 98 | As is | by synthesis |
| P-855105338 | 90 | As is | in stock |
| P-855105502 | 90 | As is | in stock |
| P-615403949 | 95 | As is | in stock |
| P-890141357 | N/A | Main component as a main component | in stock |
| P-875717570 | N/A | Main component as a main component | in stock |
| P-590414270 | 98 | Main component as a main component | in stock |
| P-590414271 | 98 | Main component as a main component | in stock |
| P-881672215 | 95 | Main component as a main component | in stock |
| P-903046276 | 98 | Main component as a main component | 250 g |
| P-903036142 | 98 | Main component as a main component | 50 g |
| P-606838783 | N/A | Main component as a main component | in stock |
| P-489234739 | 97 | Main component as a main component | in stock |
| P-489111374 | 97 | Main component as a main component | in stock |
| P-596987195 | 98 | Main component as a main component | 250 g |
| P-596986829 | 98 | Main component as a main component | 50 g |
| P-869396051 | 95 | Main component as a main component | by synthesis |
| P-869388218 | 95 | Main component as a main component | in stock |
| P-872717272 | 98 | Main component as a main component | 5 g |
| P-590836326 | 98 | Main component as a main component | by synthesis |
| P-893248729 | 95 | Main component as a main component | by synthesis |
| P-868608958 | 98 | Main component as a main component | in stock |
| P-868614866 | 98 | Main component as a main component | in stock |
| P-580270949 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-596578563 | 97 | Main component as a main component | 25 g |
| P-596578314 | 97 | Main component as a main component | 25 g |
| P-31178724 | 90 | Main component as a main component | 500 mg |
| P-885550167 | 95 | Main component as a main component | by synthesis |
| P-885550165 | 95 | Main component as a main component | by synthesis |
| P-906846114 | 98 | Main component as a main component | by synthesis |
| P-906794722 | 98 | Main component as a main component | by synthesis |
| P-611357212 | 90 | Main component as a main component | in stock |
| P-611357213 | 90 | Main component as a main component | in stock |
| P-615403723 | 95 | Main component as a main component | in stock |
| P-666974907 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 243.728 |
| logP | 2.3516 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.2889 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 18 |
| 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 |
