Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4456671046
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 | 16 USD | 95 | 18 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-4456671046.sdf |
| SMILES | MCULE-4456671046.smiles |
| Standard InChI | MCULE-4456671046.inchi |
| InChIKey | MCULE-4456671046.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867666170 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-869181143 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590394150 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851933319 | AmBeed | In stock | N/A | As is | in stock |
| P-851949027 | AmBeed | In stock | N/A | As is | in stock |
| P-596990224 | Angene | Building Blocks in stock | 98 | As is | 2 kg |
| P-895099422 | Angene | Building Blocks in stock | 97 | As is | 25 g |
| P-895931357 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864142440 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893258768 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-10539395 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-580304810 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-575334541 | EvoBlocks | In-stock Building Blocks | 95 | As is | in stock |
| P-862001104 | FluoroChem | General BB | N/A | As is | in stock |
| P-502532801 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-580041650 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-580005689 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-855983826 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-454376435 | Key Organics | Building Blocks | 95 | As is | 5.121 g |
| P-18679332 | Key Organics | Screening Compounds and Fragments | 95 | As is | 5.121 g |
| P-31250913 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-588250114 | Manchester Organics | Compounds on demand | 98 | As is | by synthesis |
| P-888172435 | Molnova | On demand | 98 | As is | by synthesis |
| P-34013573 | Otava | In-House Stock Library | 90 | As is | 9.455 g |
| P-620220384 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 9.455 g |
| P-888878307 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500402247 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-856072584 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 9.455 g |
| P-18826384 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896078138 | Specs | Repurposed Compounds | N/A | As is | 2.584 g |
| P-892274577 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869178414 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892299401 | TargetMol | In Stock BB | 95 | As is | 1.005 g |
| P-892350986 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.005 g |
| P-611485262 | Toronto Research | In stock | 90 | As is | in stock |
| P-855334725 | Toronto Research | In stock | 90 | As is | in stock |
| P-2544152 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 122 mg |
| P-464674354 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.993 g |
| P-893990845 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 238.280 |
| logP | 3.5913 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.7405 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
