Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7816576012-0
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 | 8 USD | 98 | 22 working days | Get Quote |
| 5 mg | 8 USD | 98 | 22 working days | Get Quote |
| 10 mg | 8 USD | 98 | 22 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-7816576012-0.sdf |
| SMILES | MCULE-7816576012-0.smiles |
| Standard InChI | MCULE-7816576012-0.inchi |
| InChIKey | MCULE-7816576012-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867556489 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875715761 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890256742 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
| P-597028251 | AEchem | Building blocks | 97 | As is | in stock |
| P-590390571 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893517748 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 153.389 g |
| P-606845409 | AmBeed | In stock | N/A | As is | in stock |
| P-489213900 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596991922 | Angene | Building Blocks in stock | 98 | As is | 34 g |
| P-579790741 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864105031 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580705935 | BLD pharm | In-stock building blocks | 98 | As is | 1.25 g |
| P-3838285 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-851268807 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868592395 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580299340 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861986193 | FluoroChem | General BB | 95 | As is | in stock |
| P-505544204 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454304996 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-615645828 | LabNetwork | In stock | 95 | As is | in stock |
| P-580476993 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852442390 | Matrix Scientific | All | N/A | As is | in stock |
| P-854724859 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-492283051 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 168 mg |
| P-34045791 | Otava | In-House Stock Library | 90 | As is | 168 mg |
| P-888885554 | PharmaBlock | In stock | N/A | As is | in stock |
| P-19840733 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-596781585 | Synthonix | In-stock Building Blocks | 97 | As is | 89.3 g |
| P-611479546 | Toronto Research | In stock | 90 | As is | in stock |
| P-893983106 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.239 |
| logP | 2.2463 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 93.45 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.3039 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
