Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4806172404
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 24 USD | 95 | 20 working days | Get Quote |
| 10 mg | 24 USD | 95 | 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-4806172404.sdf |
| SMILES | MCULE-4806172404.smiles |
| Standard InChI | MCULE-4806172404.inchi |
| InChIKey | MCULE-4806172404.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867639708 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875805310 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890252512 | ACS Scientific | Synthesis catalog | 95 | As is | by synthesis |
| P-590374680 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893542714 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 13.5 g |
| P-870663965 | AmBeed | In stock | N/A | As is | in stock |
| P-489181117 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-873295718 | Angene | Building Blocks in stock | 95 | As is | 10 g |
| P-864089643 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-870565548 | BLD pharm | In-stock building blocks | 95 | As is | 6 g |
| P-874558107 | ChemDiv | Discovery Chemistry Library | 90 | As is | 50 mg |
| P-868640608 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580429472 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861927751 | FluoroChem | General BB | N/A | As is | in stock |
| P-488545604 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12775912 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-588255739 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852599139 | Matrix Scientific | All | N/A | As is | in stock |
| P-900010467 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-454370537 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-445320944 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18972788 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885522364 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-855238274 | Toronto Research | In stock | 90 | As is | in stock |
| P-3215879 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 4.367 g |
| P-617341 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 4.367 g |
| P-480206805 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.310 |
| logP | 5.4449 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 14 |
| PSA | 20.23 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 83.2508 |
| Atoms | 48 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 31 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
