Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8682269209-0
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 | 20 USD | 95 | 14 working days | Get Quote |
| 5 mg | 20 USD | 95 | 14 working days | Get Quote |
| 10 mg | 20 USD | 95 | 14 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-9881551256-0
- Component type: Main
-
MCULE-8332967545-0
- Component type: Main
-
MCULE-4506095167-0
- Component type: Main
-
MCULE-8380155904-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8682269209-0.sdf |
| SMILES | MCULE-8682269209-0.smiles |
| Standard InChI | MCULE-8682269209-0.inchi |
| InChIKey | MCULE-8682269209-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893527977 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5.65 g |
| P-896632178 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861410101 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-861973027 | FluoroChem | General BB | 97 | As is | in stock |
| P-854808422 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-893527978 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 22.072 g |
| P-895917841 | Apollo Scientific | On request | 95 | As a main component | by resynthesis (? - ? days) |
| P-611005073 | BLD pharm | In-stock building blocks | 95 | As a main component | unavailable |
| P-896632194 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-861416144 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-861973028 | FluoroChem | General BB | 97 | As a main component | in stock |
| P-862110306 | FluoroChem | General BB | 99 | As a main component | in stock |
| P-852457749 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-852551062 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-855397540 | MedChemExpress | Building Blocks in stock | 95 | As a main component | in stock |
| P-867624237 | A2B Chem | Predominantly Building Block in stock | 97 | As an isomer | in stock |
| P-875787025 | AA Blocks | AA Blocks - in stock | N/A | As an isomer | in stock |
| P-590402239 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-874615495 | AK Scientific | Building Blocks | 97 | As an isomer | in stock |
| P-610971983 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 10 g |
| P-675063001 | Alinda | Stock Screening Compounds | 90 | As an isomer | in stock |
| P-851924375 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-489136161 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As an isomer | in stock |
| P-865918412 | Angene | Building Blocks in stock | 97 | As an isomer | 5 g |
| P-864126533 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-615698616 | BLD pharm | In-stock building blocks | 97 | As an isomer | 1000 mg |
| P-878236272 | Chemshuttle | On request catalog | 95 | As an isomer | by synthesis |
| P-872749174 | Combi-Blocks | Building Block in stock | 96 | As an isomer | in stock |
| P-580758066 | Crea-Chim | HTS compounds | 90 | As an isomer | unavailable |
| P-580300949 | Debye Scientific | General Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
| P-862023930 | FluoroChem | General BB | 95 | As an isomer | in stock |
| P-890217898 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As an isomer | in stock |
| P-590340331 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As an isomer | 1000 mg |
| P-505498126 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
| P-502495190 | Innovapharm | Virtual Building Blocks | 95 | As an isomer | by synthesis |
| P-855962680 | Key Organics | Building Blocks | 95 | As an isomer | 100 mg |
| P-563497572 | Key Organics | Building Blocks | 95 | As an isomer | 1000 mg |
| P-855961972 | Key Organics | Building Blocks | 97 | As an isomer | 100 mg |
| P-580485319 | Manchester Organics | Compounds on demand | N/A | As an isomer | by synthesis |
| P-852426445 | Matrix Scientific | All | N/A | As an isomer | in stock |
| P-854802835 | MedChemExpress | Building Blocks on demand | 95 | As an isomer | by synthesis |
| P-888875990 | PharmaBlock | In stock | N/A | As an isomer | in stock |
| P-611496077 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-1568659 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 1.01 g |
| P-886955062 | eNovation Chemicals LLC | Building Block on demand | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.692 |
| logP | 4.0884 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.6124 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
