Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4310148595-0
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 | 27 USD | N/A | 9 working days | Get Quote |
| 5 mg | 67 USD | N/A | 9 working days | Get Quote |
| 10 mg | 105 USD | N/A | 9 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-4777413235-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4310148595-0.sdf |
| SMILES | MCULE-4310148595-0.smiles |
| Standard InChI | MCULE-4310148595-0.inchi |
| InChIKey | MCULE-4310148595-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872722895 | 98 | As is | in stock |
| P-851485754 | N/A | As is | by synthesis |
| P-901496480 | 95 | As is | by synthesis |
| P-869111647 | 95 | As is | unavailable |
| P-888629513 | 95 | As is | unavailable |
| P-853429630 | 98 | Main component | by resynthesis (? - ? days) |
| P-872722894 | 98 | Main component | in stock |
| P-893584246 | 90 | Main component | 5.564 g |
| P-1270365239 | 98 | Main component | in stock |
| P-851937384 | N/A | Main component | in stock |
| P-619136899 | 98 | Main component | 250 mg |
| P-1273260449 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273297401 | 95 | Main component | by resynthesis (? - ? days) |
| P-864193682 | 95 | Main component | in stock |
| P-855917089 | 97 | Main component | 100 mg |
| P-878642593 | 98 | Main component | in stock |
| P-885558847 | 95 | Main component | by synthesis |
| P-904255771 | 95 | Main component | unavailable |
| P-869175085 | 95 | Main component | 51 mg |
| P-888664858 | 95 | Main component | 51 mg |
| P-867620035 | 98 | Main component as a main component | in stock |
| P-595215067 | 98 | Main component as a main component | by resynthesis (? - ? days) |
| P-580192902 | 98 | Main component as a main component | in stock |
| P-851466064 | N/A | Main component as a main component | by synthesis |
| P-895098019 | N/A | Main component as a main component | 25 mg |
| P-1274839815 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889497961 | 95 | Main component as a main component | by synthesis |
| P-873251017 | 95 | Main component as a main component | 5 mg |
| P-869111646 | 95 | Main component as a main component | unavailable |
| P-888629512 | 95 | Main component as a main component | unavailable |
| P-868518545 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 486.134 |
| logP | 8.2852 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 68.95 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 143.743 |
| Atoms | 64 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 32 |
| Heteroatoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
