Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8605168085
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 | 36 USD | 90 | 17 working days | Get Quote |
| 5 mg | 36 USD | 90 | 17 working days | Get Quote |
| 10 mg | 36 USD | 95 | 21 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-8605168085.sdf |
| SMILES | MCULE-8605168085.smiles |
| Standard InChI | MCULE-8605168085.inchi |
| InChIKey | MCULE-8605168085.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867303838 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-890156193 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613847695 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580218238 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-436469339 | Alinda | Building Blocks | 95 | As is | in stock |
| P-20001842 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-878260618 | AmBeed | In stock | N/A | As is | in stock |
| P-881102377 | Angene | Building Blocks in stock | 95 | As is | 15 g |
| P-596459029 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596517984 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-889780847 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-454636044 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-861534806 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34774081 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-861945244 | FluoroChem | General BB | N/A | As is | in stock |
| P-590342158 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 5 g |
| P-890219501 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-492217739 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-596592171 | Key Organics | Building Blocks | 90 | As is | 94 mg |
| P-856002446 | Key Organics | Screening Compounds and Fragments | 90 | As is | 94 mg |
| P-579638176 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31209539 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-613276139 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-890572188 | Life Chemicals | Screening Compounds | 90 | As is | 186 mg |
| P-588250204 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852402748 | Matrix Scientific | All | N/A | As is | in stock |
| P-854791525 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492278797 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.998 g |
| P-12632760 | Otava | In-House Stock Library | 90 | As is | 1.998 g |
| P-34126674 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885515785 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502329851 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22522988 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-611507833 | Toronto Research | In stock | 90 | As is | in stock |
| P-674834 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.331 g |
| P-464674372 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.331 g |
| P-894011747 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.686 |
| logP | 2.8621 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 60.4487 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
