Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4099444911-0
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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.
-
MCULE-8906736668-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4099444911-0.sdf |
| SMILES | MCULE-4099444911-0.smiles |
| Standard InChI | MCULE-4099444911-0.inchi |
| InChIKey | MCULE-4099444911-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867659648 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875828123 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597025874 | AEchem | Building blocks | 98 | As is | in stock |
| P-869187277 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-579761869 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606941226 | AmBeed | In stock | N/A | As is | in stock |
| P-489114307 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596971954 | Angene | Building Blocks in stock | 98 | As is | 1000 g |
| P-608430065 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864117418 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580727114 | BLD pharm | In-stock building blocks | 98 | As is | 206 g |
| P-868642134 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580275956 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901367432 | FluoroChem | In Stock BB | N/A | As is | 10 g |
| P-505518911 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454314466 | Key Organics | Screening Compounds and Fragments | 90 | As is | 377 mg |
| P-608097783 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31258850 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580497566 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
| P-852452055 | Matrix Scientific | All | N/A | As is | in stock |
| P-854736134 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500392000 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-859998044 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596781075 | Synthonix | In-stock Building Blocks | 98 | As is | 5.8912 kg |
| P-502361849 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611478528 | Toronto Research | In stock | 90 | As is | in stock |
| P-615435908 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-886611796 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-901198173 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-895607129 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 169.153 |
| logP | 1.7757 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.0839 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
