Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3451001062
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 20 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-3451001062.sdf |
| SMILES | MCULE-3451001062.smiles |
| Standard InChI | MCULE-3451001062.inchi |
| InChIKey | MCULE-3451001062.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867579289 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875738366 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590402028 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893577686 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 992.693 g |
| P-436479397 | Alinda | Building Blocks | 95 | As is | 77 g |
| P-867719834 | AmBeed | In stock | N/A | As is | in stock |
| P-596983578 | Angene | Building Blocks in stock | 98 | As is | 1.011 kg |
| P-866721855 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864195375 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-855391052 | BLD pharm | In-stock building blocks | 98 | As is | 136 g |
| P-893226999 | Biosynth | In Stock | 95 | As is | in stock |
| P-454740494 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-619327232 | ChemDiv | Discovery Chemistry Library | 90 | As is | 83 mg |
| P-868612969 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889437695 | FluoroChem | General BB | 98 | As is | in stock |
| P-870660559 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-502576664 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-596567593 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-856041402 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31161168 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-611664047 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852537134 | Matrix Scientific | All | N/A | As is | in stock |
| P-869093648 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-885542105 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12588234 | Specs | Screening Compounds | 90 | As is | 1.014 g |
| P-502365305 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.307 |
| logP | 3.0832 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 34.14 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.23 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
