Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8817627099
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 | 69 USD | 90 | 10 working days | Get Quote |
| 5 mg | 85 USD | 90 | 10 working days | Get Quote |
| 10 mg | 99 USD | 95 | 10 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-7872961291
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8817627099.sdf |
| SMILES | MCULE-8817627099.smiles |
| Standard InChI | MCULE-8817627099.inchi |
| InChIKey | MCULE-8817627099.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612896028 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-875833415 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615715823 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610971672 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 22.4 g |
| P-851493959 | AmBeed | On request | N/A | As is | by synthesis |
| P-494338866 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864148239 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590822366 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861419530 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580383293 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-502550847 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454400090 | Key Organics | Building Blocks | 90 | As is | 13.205 g |
| P-18820151 | Key Organics | Screening Compounds and Fragments | 90 | As is | 13.205 g |
| P-852445697 | Matrix Scientific | All | N/A | As is | in stock |
| P-869021936 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-867669640 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-875843603 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869314919 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-851437835 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-889798097 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-611021668 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
| P-616226746 | ChemBridge | Building Block Library | 95 | As a main component | in stock |
| P-427973220 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 10 mg |
| P-861396616 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-862056545 | FluoroChem | General BB | N/A | As a main component | in stock |
| P-855950764 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
| P-852559152 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-854869032 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-611593748 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-893750533 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| P-893663476 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.204 |
| logP | 1.5236 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.7311 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
