Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3823284831
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 | 41 USD | 95 | 20 working days | Get Quote |
| 5 mg | 41 USD | 95 | 20 working days | Get Quote |
| 10 mg | 55 USD | 95 | 18 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-6093774627
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3823284831.sdf |
| SMILES | MCULE-3823284831.smiles |
| Standard InChI | MCULE-3823284831.inchi |
| InChIKey | MCULE-3823284831.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875701105 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869185146 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-616209062 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-851777364 | AmBeed | On request | N/A | As is | by synthesis |
| P-619200977 | Angene | Building Blocks in stock | 95 | As is | 25 mg |
| P-864233694 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-888654887 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869159290 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855344947 | Toronto Research | In stock | 90 | Main component | in stock |
| P-852093820 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-890155185 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-613853300 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-851512266 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 442.888 |
| logP | -0.6814 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 162.71 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 108.9287 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 27 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
