Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9015094611-0
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 | 42 USD | 95 | 22 working days | Get Quote |
| 5 mg | 138 USD | 98 | 8 working days | Get Quote |
| 10 mg | 138 USD | 98 | 8 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-7901434892-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9015094611-0.sdf |
| SMILES | MCULE-9015094611-0.smiles |
| Standard InChI | MCULE-9015094611-0.inchi |
| InChIKey | MCULE-9015094611-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872800993 | 95 | As is | by synthesis |
| P-889922154 | 95 | As is | by synthesis |
| P-851532631 | N/A | As is | by synthesis |
| P-893132777 | 95 | Main component | by synthesis |
| P-1268855070 | 95 | Main component | by synthesis |
| P-1275575923 | 97 | Main component | by synthesis |
| P-491438688 | 95 | Main component | by synthesis |
| P-1271113409 | 95 | Main component as a main component | by synthesis |
| P-867549969 | 95 | Main component as a main component | in stock |
| P-875707824 | 95 | Main component as a main component | in stock |
| P-1269888217 | 95 | Main component as a main component | by synthesis |
| P-893445163 | 90 | Main component as a main component | 50 mg |
| P-851526226 | N/A | Main component as a main component | by synthesis |
| P-889775757 | 95 | Main component as a main component | in stock |
| P-868543802 | 98 | Main component as a main component | in stock |
| P-608392728 | 95 | Main component as a main component | by synthesis |
| P-580450848 | 99 | Main component as a main component | in stock |
| P-889033596 | 95 | Main component as a main component | by synthesis |
| P-870659973 | N/A | Main component as a main component | in stock |
| P-611361733 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 238.155 |
| logP | 2.8846 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 40.71 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 66.1214 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
