Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3462482152
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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.
| Name | File |
|---|---|
| SDF | MCULE-3462482152.sdf |
| SMILES | MCULE-3462482152.smiles |
| Standard InChI | MCULE-3462482152.inchi |
| InChIKey | MCULE-3462482152.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-25941329 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 38 mg |
| P-866725084 | Apollo Scientific | In Stock | 95 | As is | 140 mg |
| P-500413908 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-580734160 | BLD pharm | In-stock building blocks | 98 | As is | 2.5 g |
| P-900268001 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-505576545 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-452660924 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-896544471 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579478674 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-579622302 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-854693147 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-896627539 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-474023636 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888171760 | Molnova | On demand | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 432.376 |
| logP | 0.0499 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 170.05 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 106.1112 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
