Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5497288088-0
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 | 5 USD | 97 | 14 working days | Get Quote |
| 5 mg | 5 USD | 97 | 14 working days | Get Quote |
| 10 mg | 5 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5497288088-0.sdf |
| SMILES | MCULE-5497288088-0.smiles |
| Standard InChI | MCULE-5497288088-0.inchi |
| InChIKey | MCULE-5497288088-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867540064 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875696171 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869190035 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505395416 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-903018292 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 2.5 kg |
| P-893338671 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606874615 | AmBeed | In stock | N/A | As is | in stock |
| P-596926169 | Angene | Building Blocks in stock | 97 | As is | 2.5 kg |
| P-895936127 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864185028 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580698624 | BLD pharm | In-stock building blocks | 97 | As is | 1.17 kg |
| P-893235800 | Biosynth | In Stock | 95 | As is | in stock |
| P-851282520 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868616179 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-862031671 | FluoroChem | General BB | N/A | As is | in stock |
| P-870662946 | Glentham Life Sciences | Compounds maintained in stock | 97 | As is | in stock |
| P-524443821 | Key Organics | Biochemicals | 97 | As is | 2.185 g |
| P-579625869 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-31137743 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-852467292 | Matrix Scientific | All | N/A | As is | in stock |
| P-863734471 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-896628752 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-584623491 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888172672 | Molnova | On demand | 98 | As is | by synthesis |
| P-12344166 | Otava | In-House Stock Library | 90 | As is | 37 mg |
| P-885545766 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19185429 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-611383106 | Toronto Research | In stock | 90 | As is | in stock |
| P-855293511 | Toronto Research | In stock | 90 | As is | in stock |
| P-855030896 | Toronto Research | In stock | 90 | As is | in stock |
| P-575307775 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 388.368 |
| logP | 4.3914 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 115.06 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 108.8716 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
