Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1889696507-0
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 | 20 working days | Get Quote |
| 5 mg | 8 USD | 98 | 20 working days | Get Quote |
| 10 mg | 8 USD | 98 | 20 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-8079942968-0
- Component type: Main
-
MCULE-3991485647-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1889696507-0.sdf |
| SMILES | MCULE-1889696507-0.smiles |
| Standard InChI | MCULE-1889696507-0.inchi |
| InChIKey | MCULE-1889696507-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867537391 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875692516 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595216295 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606885493 | AmBeed | In stock | N/A | As is | in stock |
| P-489192510 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596936887 | Angene | Building Blocks in stock | 98 | As is | 75 g |
| P-494323061 | Apollo Scientific | In Stock | 95 | As is | 1.03 g |
| P-864138800 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-666937235 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868644094 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-862124283 | FluoroChem | General BB | 95 | As is | in stock |
| P-890217634 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590340065 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-888620883 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-596573053 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-454298083 | Key Organics | Screening Compounds and Fragments | 90 | As is | 125 mg |
| P-854728855 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888882539 | PharmaBlock | In stock | N/A | As is | in stock |
| P-859994414 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502399308 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-860627574 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-890018517 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-875824950 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-894623388 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-869274925 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-874656436 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
| P-893519169 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 55.873 g |
| P-893556067 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 294.899 g |
| P-851411217 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-891647288 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-851797786 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-851931060 | AmBeed | In stock | N/A | As a main component | in stock |
| P-597005385 | Angene | Building Blocks in stock | 95 | As a main component | 98 g |
| P-619163564 | Angene | Building Blocks in stock | 98 | As a main component | 10 g |
| P-864168435 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-864233178 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-590736854 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-590991110 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-580725377 | BLD pharm | In-stock building blocks | 98 | As a main component | unavailable |
| P-887189130 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-868629682 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
| P-862122925 | FluoroChem | General BB | 95 | As a main component | in stock |
| P-889440020 | FluoroChem | General BB | 95 | As a main component | in stock |
| P-524190125 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
| P-454396845 | Key Organics | Building Blocks | 95 | As a main component | 1.103 g |
| P-454396848 | Key Organics | Building Blocks | 95 | As a main component | 1.09 g |
| P-579459270 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
| P-596547326 | Key Organics | Screening Compounds and Fragments | 95 | As a main component | 1.103 g |
| P-596547327 | Key Organics | Screening Compounds and Fragments | 95 | As a main component | 1.09 g |
| P-895247514 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-895247515 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-885540943 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-611419283 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-615424465 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| P-667021461 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.177 |
| logP | 3.3052 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 45.6054 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
