Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2265122851
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 | 111 USD | 95 | 14 working days | Get Quote |
| 5 mg | 111 USD | 95 | 14 working days | Get Quote |
| 10 mg | 177 USD | 95 | 14 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-3642482714
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2265122851.sdf |
| SMILES | MCULE-2265122851.smiles |
| Standard InChI | MCULE-2265122851.inchi |
| InChIKey | MCULE-2265122851.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852144761 | N/A | As is | by synthesis |
| P-890018085 | N/A | As is | by synthesis |
| P-893267733 | 95 | As is | by synthesis |
| P-611446320 | 90 | As is | in stock |
| P-892863045 | 98 | Main component | in stock |
| P-890156440 | 98 | Main component | in stock |
| P-904569467 | 95 | Main component | by resynthesis (? - ? days) |
| P-903143320 | N/A | Main component | 25 mg |
| P-881617200 | N/A | Main component | by synthesis |
| P-895099740 | N/A | Main component | 25 mg |
| P-889847623 | 95 | Main component | by synthesis |
| P-890224478 | 96 | Main component | by synthesis |
| P-901415032 | 95 | Main component | in stock |
| P-851240094 | 95 | Main component | by synthesis |
| P-852519725 | 95 | Main component | by synthesis |
| P-895181159 | 95 | Main component | in stock |
| P-584617748 | 95 | Main component | in stock |
| P-611446319 | 90 | Main component | in stock |
| P-886968892 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 429.977 |
| logP | 6.529 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 42.68 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 125.8635 |
| Atoms | 62 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 32 |
| 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 |
