Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8450653194
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 | 98 | 20 working days | Get Quote |
| 5 mg | 19 USD | 98 | 20 working days | Get Quote |
| 10 mg | 19 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-1398952004
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8450653194.sdf |
| SMILES | MCULE-8450653194.smiles |
| Standard InChI | MCULE-8450653194.inchi |
| InChIKey | MCULE-8450653194.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886581233 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875766725 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590384848 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893519153 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 178.12 g |
| P-580201816 | Aldlab Chemicals | Building Block Stock | 95 | As is | 10 g |
| P-851566492 | AmBeed | On request | N/A | As is | by synthesis |
| P-489240152 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619203311 | Angene | Building Blocks in stock | 98 | As is | 75 g |
| P-589662511 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864124827 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-861274251 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868637824 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862029212 | FluoroChem | General BB | 95 | As is | in stock |
| P-454379629 | Key Organics | Building Blocks | 95 | As is | 71.798 g |
| P-18798286 | Key Organics | Screening Compounds and Fragments | 95 | As is | 71.798 g |
| P-579661780 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-860795036 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852413504 | Matrix Scientific | All | N/A | As is | in stock |
| P-854754192 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-492280942 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.5 g |
| P-12687729 | Otava | In-House Stock Library | 90 | As is | 1.5 g |
| P-888882612 | PharmaBlock | In stock | N/A | As is | in stock |
| P-885543297 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502395076 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611385399 | Toronto Research | In stock | 90 | As is | in stock |
| P-886950441 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-851446961 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-590768439 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
| P-861398703 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-895468339 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.161 |
| logP | 2.0603 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 67.08 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.8827 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
