Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5393848097
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 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5393848097.sdf |
| SMILES | MCULE-5393848097.smiles |
| Standard InChI | MCULE-5393848097.inchi |
| InChIKey | MCULE-5393848097.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867556936 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875716435 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869192228 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-579762264 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-610989615 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 696.111 g |
| P-866097839 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | 85 g |
| P-606900691 | AmBeed | In stock | N/A | As is | in stock |
| P-489230001 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596943823 | Angene | Building Blocks in stock | 98 | As is | 200 g |
| P-611625360 | Apollo Scientific | In Stock | 95 | As is | 35 g |
| P-864097664 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590599050 | BLD pharm | In-stock building blocks | 98 | As is | 33 g |
| P-851247628 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868648985 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862026246 | FluoroChem | General BB | 98 | As is | in stock |
| P-505526346 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454381317 | Key Organics | Building Blocks | 95 | As is | 33.419 g |
| P-18791422 | Key Organics | Screening Compounds and Fragments | 95 | As is | 33.419 g |
| P-615653293 | LabNetwork | In stock | 95 | As is | in stock |
| P-579619935 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31219142 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-852412391 | Matrix Scientific | All | N/A | As is | in stock |
| P-519760667 | Maybridge | Maybridge Building Blocks | 97 | As is | 20.1 g |
| P-35175238 | Maybridge | Screening Collection | 97 | As is | 20.1 kg |
| P-854744441 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-885534064 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873282671 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-596782155 | Synthonix | In-stock Building Blocks | 98 | As is | 107 g |
| P-502396308 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-596709993 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-611479595 | Toronto Research | In stock | 90 | As is | in stock |
| P-611480257 | Toronto Research | In stock | 90 | As is | in stock |
| P-893936653 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 188.182 |
| logP | 1.4164 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 52.08 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.8175 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| 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 |
