Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4414820376-0
Structure
Show compound
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 | 97 | 20 working days | Get Quote |
| 5 mg | 11 USD | 97 | 20 working days | Get Quote |
| 10 mg | 11 USD | 97 | 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.
-
MCULE-1799396989-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4414820376-0.sdf |
| SMILES | MCULE-4414820376-0.smiles |
| Standard InChI | MCULE-4414820376-0.inchi |
| InChIKey | MCULE-4414820376-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867573248 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875734013 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597028317 | AEchem | Building blocks | 95 | As is | in stock |
| P-881670333 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-588247987 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893537878 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.7045 kg |
| P-580240037 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-436475188 | Alinda | Building Blocks | 95 | As is | 20 g |
| P-606925680 | AmBeed | In stock | N/A | As is | in stock |
| P-596950399 | Angene | Building Blocks in stock | 97 | As is | 125 g |
| P-494337964 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864102357 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-454661151 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851250260 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868565951 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580433650 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889114272 | FluoroChem | In Stock BB | 95 | As is | 2 g |
| P-454389487 | Key Organics | Building Blocks | 95 | As is | 4.198 g |
| P-18815585 | Key Organics | Screening Compounds and Fragments | 95 | As is | 4.198 g |
| P-579661742 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-613278887 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580506821 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852416741 | Matrix Scientific | All | N/A | As is | in stock |
| P-854737626 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500406456 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-596758173 | Synthonix | In-stock Building Blocks | 97 | As is | unavailable |
| P-502391139 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611393241 | Toronto Research | In stock | 90 | As is | in stock |
| P-480972340 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-893158447 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-851880022 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-591167558 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-895520739 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 139.195 |
| logP | 0.7516 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 20.31 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.353 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 13 |
| 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 |
