Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6698513159
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 | 16 USD | 95 | 18 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 16 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-6698513159.sdf |
| SMILES | MCULE-6698513159.smiles |
| Standard InChI | MCULE-6698513159.inchi |
| InChIKey | MCULE-6698513159.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867542051 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875698601 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869195897 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505400440 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893549289 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 11.724 g |
| P-851690371 | AmBeed | On request | N/A | As is | by synthesis |
| P-489150363 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619125242 | Angene | Building Blocks in stock | 98 | As is | 9.58 g |
| P-864124103 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-868642764 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-861920493 | FluoroChem | General BB | 98 | As is | in stock |
| P-505546655 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524169496 | Key Organics | Building Blocks | 98 | As is | 25 g |
| P-855993605 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-615638255 | LabNetwork | In stock | 95 | As is | in stock |
| P-579666504 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31197537 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580489491 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852376891 | Matrix Scientific | All | N/A | As is | in stock |
| P-519749923 | Maybridge | Maybridge Building Blocks | 97 | As is | 444.7 g |
| P-428006813 | Maybridge | Screening Collection | 97 | As is | 444.7 kg |
| P-854755776 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-500389643 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-502328869 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611364221 | Toronto Research | In stock | 90 | As is | in stock |
| P-481001046 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 210.582 |
| logP | 3.6856 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 52.04 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 45.2628 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 6 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
