Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3939775033
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 | 65 USD | 98 | 22 working days | Get Quote |
| 5 mg | 65 USD | 98 | 22 working days | Get Quote |
| 10 mg | 65 USD | 98 | 22 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-7317039859
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3939775033.sdf |
| SMILES | MCULE-3939775033.smiles |
| Standard InChI | MCULE-3939775033.inchi |
| InChIKey | MCULE-3939775033.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893151775 | 95 | As is | by synthesis |
| P-1268852590 | 95 | As is | by synthesis |
| P-853428042 | 95 | As is | by resynthesis (? - ? days) |
| P-851591030 | N/A | As is | by synthesis |
| P-590916095 | 95 | As is | by synthesis |
| P-895676911 | 95 | As is | by synthesis |
| P-867599443 | 98 | Main component | in stock |
| P-875757787 | 98 | Main component | in stock |
| P-597017066 | 95 | Main component | unavailable |
| P-869260949 | 95 | Main component | by resynthesis (? - ? days) |
| P-903092791 | 98 | Main component | 30 g |
| P-893554649 | 90 | Main component | 44.73 g |
| P-866100852 | 95 | Main component | 1.5 g |
| P-1270299556 | 98 | Main component | in stock |
| P-606844841 | N/A | Main component | in stock |
| P-596993220 | 98 | Main component | 5 g |
| P-895934034 | 95 | Main component | by resynthesis (? - ? days) |
| P-864160221 | 95 | Main component | in stock |
| P-481166784 | 95 | Main component | 2.5 g |
| P-901418783 | 95 | Main component | by synthesis |
| P-868565107 | 95 | Main component | in stock |
| P-868601604 | 95 | Main component | in stock |
| P-580388123 | N/A | Main component | by resynthesis (? - ? days) |
| P-1273144578 | 97 | Main component | 100 mg |
| P-590338113 | 90 | Main component | 1000 mg |
| P-890215679 | 90 | Main component | in stock |
| P-18810438 | 90 | Main component | unavailable |
| P-852450102 | 97 | Main component | by synthesis |
| P-854768130 | 95 | Main component | by synthesis |
| P-888886705 | N/A | Main component | in stock |
| P-859993193 | 95 | Main component | by synthesis |
| P-873227321 | 90 | Main component | in stock |
| P-611565659 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 185.609 |
| logP | 1.8216 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 74.67 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.2888 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
