Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9856052382
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 12 working days | Get Quote |
| 10 mg | 130 USD | 90 | 22 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-9856052382.sdf |
| SMILES | MCULE-9856052382.smiles |
| Standard InChI | MCULE-9856052382.inchi |
| InChIKey | MCULE-9856052382.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872935944 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875804144 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613855129 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851827616 | AmBeed | On request | N/A | As is | by synthesis |
| P-596976999 | Angene | Building Blocks in stock | 95 | As is | 4 g |
| P-864094290 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590987872 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-619856665 | ChemDiv | Discovery Chemistry Library | 90 | As is | 28 mg |
| P-861553938 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34486403 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580441321 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862035329 | FluoroChem | General BB | N/A | As is | in stock |
| P-890218740 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590341169 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-502537969 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-563457054 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-854760192 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23977227 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491099452 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-870522356 | Synthonix | In-stock Building Blocks | 95 | As is | 4.25 g |
| P-502383210 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611609843 | Toronto Research | In stock | 90 | As is | in stock |
| P-2945379 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3 mg |
| P-615391532 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.283 |
| logP | 3.6689 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 61.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.079 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
