Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8081890893
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 | 14 USD | 98 | 20 working days | Get Quote |
| 5 mg | 14 USD | 98 | 20 working days | Get Quote |
| 10 mg | 14 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.
| Name | File |
|---|---|
| SDF | MCULE-8081890893.sdf |
| SMILES | MCULE-8081890893.smiles |
| Standard InChI | MCULE-8081890893.inchi |
| InChIKey | MCULE-8081890893.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867553489 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875711943 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890252766 | ACS Scientific | Synthesis catalog | 98 | As is | by synthesis |
| P-597021365 | AEchem | Building blocks | 95 | As is | in stock |
| P-597018814 | AEchem | Building blocks | 95 | As is | in stock |
| P-590375700 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-492294465 | Advamacs (TriMen Chemicals) | Predominantly Building Blocks in stock | 95 | As is | in stock |
| P-610970486 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 207.977 g |
| P-606912551 | AmBeed | In stock | N/A | As is | in stock |
| P-489109098 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596942385 | Angene | Building Blocks in stock | 98 | As is | 49.91 g |
| P-589653783 | Apollo Scientific | In Stock | 95 | As is | 4.2 g |
| P-864088181 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580734846 | BLD pharm | In-stock building blocks | 97 | As is | 2.4 g |
| P-504729805 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-607758979 | ChemDiv | Discovery Chemistry Library | 90 | As is | 13 mg |
| P-851243696 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868647137 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-34511630 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580315029 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-881675023 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | As is | by resynthesis (? - ? days) |
| P-889111984 | FluoroChem | In Stock BB | 95 | As is | 250 mg |
| P-524188292 | Key Organics | Building Blocks | 97 | As is | 500 mg |
| P-855996530 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-613302308 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852502830 | Matrix Scientific | All | N/A | As is | in stock |
| P-854751345 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888894002 | PharmaBlock | In stock | N/A | As is | in stock |
| P-23841294 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491438058 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-505617529 | Ramidus | In stock compounds | 95 | As is | in stock |
| P-596759001 | Synthonix | In-stock Building Blocks | 97 | As is | 36.6 g |
| P-22699005 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-855247232 | Toronto Research | In stock | 90 | As is | in stock |
| P-3239502 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 25 mg |
| P-634448 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 25 mg |
| P-615449614 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.185 |
| logP | 2.2622 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.8673 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
