Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9019964904-0
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 | 15 USD | 95 | 8 working days | Get Quote |
| 5 mg | 15 USD | 95 | 8 working days | Get Quote |
| 10 mg | 15 USD | 95 | 8 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-9019964904-0.sdf |
| SMILES | MCULE-9019964904-0.smiles |
| Standard InChI | MCULE-9019964904-0.inchi |
| InChIKey | MCULE-9019964904-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867623797 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875785925 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869196751 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903135729 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 5 g |
| P-610970265 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 67.9 g |
| P-606872438 | AmBeed | In stock | N/A | As is | in stock |
| P-596964889 | Angene | Building Blocks in stock | 95 | As is | 2 g |
| P-579785125 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864161792 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590600487 | BLD pharm | In-stock building blocks | 95 | As is | 6.35 g |
| P-577179424 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-903005045 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-889357963 | FluoroChem | General BB | N/A | As is | in stock |
| P-855375008 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-502473072 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454383666 | Key Organics | Building Blocks | 95 | As is | 1.516 g |
| P-18741239 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.516 g |
| P-579676041 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-860788553 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-854798971 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888894331 | PharmaBlock | In stock | N/A | As is | in stock |
| P-23845145 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491118356 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611459405 | Toronto Research | In stock | 90 | As is | in stock |
| P-3242628 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 4.98 g |
| P-714156 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 4.98 g |
| P-464677731 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 4.98 g |
| P-893939063 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.215 |
| logP | 1.87 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 72.55 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.9932 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
