Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4021572419
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 | 36 USD | 95 | 16 working days | Get Quote |
| 5 mg | 125 USD | 95 | 14 working days | Get Quote |
| 10 mg | 182 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-4021572419.sdf |
| SMILES | MCULE-4021572419.smiles |
| Standard InChI | MCULE-4021572419.inchi |
| InChIKey | MCULE-4021572419.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867629006 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875792933 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869286932 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851616018 | AmBeed | On request | N/A | As is | by synthesis |
| P-868824669 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 35 mg |
| P-864241802 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-452660045 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-887203201 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579480884 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-675219601 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-873245449 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854691031 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-872678637 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878644958 | Molnova | Stock | 98 | As is | in stock |
| P-869177020 | TargetMol | Natural Products | 95 | As is | 300 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 376.442 |
| logP | 2.7923 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 99.38 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.0906 |
| Atoms | 55 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 28 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
