Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8535181702
Compound
Show structures
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 | 82 USD | 90 | 17 working days | Get Quote |
| 5 mg | 82 USD | 90 | 17 working days | Get Quote |
| 10 mg | 117 USD | 90 | 17 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-9149573537
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8535181702.sdf |
| SMILES | MCULE-8535181702.smiles |
| Standard InChI | MCULE-8535181702.inchi |
| InChIKey | MCULE-8535181702.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675272546 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-675527817 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502442006 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-35175060 | Maybridge | Screening Collection | 90 | As is | 8.092 kg |
| P-33247919 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-502486234 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
| P-675272657 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
| P-502486390 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 246.739 |
| logP | 1.4538 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 137.92 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.0149 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
