Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1653218832
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 | 5 USD | 97 | 8 working days | Get Quote |
| 5 mg | 5 USD | 97 | 8 working days | Get Quote |
| 10 mg | 5 USD | 97 | 8 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-1653218832.sdf |
| SMILES | MCULE-1653218832.smiles |
| Standard InChI | MCULE-1653218832.inchi |
| InChIKey | MCULE-1653218832.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867542128 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875699240 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869235119 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606863567 | AmBeed | In stock | N/A | As is | in stock |
| P-489213737 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596938573 | Angene | Building Blocks in stock | 97 | As is | 241 g |
| P-864170085 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580716635 | BLD pharm | In-stock building blocks | 97 | As is | 201.25 g |
| P-893221503 | Biosynth | In Stock | 95 | As is | in stock |
| P-577173585 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-3287664 | ChemDiv | Discovery Chemistry Library | 90 | As is | 255 mg |
| P-505605492 | Chemcia | Virtual compounds | 95 | As is | by synthesis |
| P-851284214 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868621541 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-580401088 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-861949202 | FluoroChem | General BB | 97 | As is | in stock |
| P-488546205 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12377268 | InterBioScreen | Screening Compounds | 92 | As is | 253 mg |
| P-524199244 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-855397717 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-454370743 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500410907 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-579267453 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885515978 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596738685 | Synthonix | In-stock Building Blocks | 97 | As is | 413.5 g |
| P-873214421 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611365765 | Toronto Research | In stock | 90 | As is | in stock |
| P-2157080 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 75 mg |
| P-615402264 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.245 |
| logP | 3.8216 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 78.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.2538 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| 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 |
