Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8579127841
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 | 25 USD | 95 | 18 working days | Get Quote |
| 5 mg | 25 USD | 95 | 18 working days | Get Quote |
| 10 mg | 25 USD | 95 | 18 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-8579127841.sdf |
| SMILES | MCULE-8579127841.smiles |
| Standard InChI | MCULE-8579127841.inchi |
| InChIKey | MCULE-8579127841.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886608121 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889925403 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-613848150 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-34857789 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436456457 | Alinda | Building Blocks | 95 | As is | 24 g |
| P-851643046 | AmBeed | On request | N/A | As is | by synthesis |
| P-889811061 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590863845 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-619928809 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-3701967 | ChemDiv | Discovery Chemistry Library | 90 | As is | 27 mg |
| P-868636402 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34765496 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580349301 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862055803 | FluoroChem | General BB | N/A | As is | in stock |
| P-492219963 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502764481 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502460609 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855972885 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852429154 | Matrix Scientific | All | N/A | As is | in stock |
| P-854791190 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12355352 | Otava | In-House Stock Library | 90 | As is | 2.627 g |
| P-492273744 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.627 g |
| P-18983870 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-13238279 | Specs | Screening Compounds | 90 | As is | 255 mg |
| P-502331214 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22539415 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 100 mg |
| P-611595381 | Toronto Research | In stock | 90 | As is | in stock |
| P-3240456 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 143 mg |
| P-685911 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 143 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 203.237 |
| logP | 2.081 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 61.4785 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
