Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4538449698-0
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 | 17 USD | 95 | 8 working days | Get Quote |
| 5 mg | 17 USD | 95 | 8 working days | Get Quote |
| 10 mg | 17 USD | 95 | 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.
-
1
MCULE-5341061715-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4538449698-0.sdf |
| SMILES | MCULE-4538449698-0.smiles |
| Standard InChI | MCULE-4538449698-0.inchi |
| InChIKey | MCULE-4538449698-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867588738 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875747937 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-588246322 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-584604393 | Alinda | Building Blocks | 95 | As is | 50 g |
| P-851423133 | AmBeed | On request | N/A | As is | by synthesis |
| P-596984437 | Angene | Building Blocks in stock | 98 | As is | 4 g |
| P-596649705 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-481173894 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 9.75 g |
| P-590748763 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
| P-4171286 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-868614654 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-855986749 | Key Organics | Building Blocks | 97 | As is | 50 g |
| P-608102575 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852453578 | Matrix Scientific | All | N/A | As is | in stock |
| P-895256084 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-650826759 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-675100986 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873215774 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873227767 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611452555 | Toronto Research | In stock | 90 | As is | in stock |
| P-617781599 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 111 mg |
| P-666975744 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-886637272 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-889937190 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-613848262 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-577156625 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-887075173 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-488546586 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-13404858 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-852420647 | Matrix Scientific | All | N/A | Main component | in stock |
| P-454370818 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-864661538 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
| P-893779559 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 278.328 |
| logP | 2.0966 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 132.47 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 70.0508 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
