Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5276546081
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 | 25 USD | 98 | 20 working days | Get Quote |
| 5 mg | 25 USD | 98 | 20 working days | Get Quote |
| 10 mg | 25 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.
-
MCULE-1020352947
- Component type: Main
-
MCULE-4736181346
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5276546081.sdf |
| SMILES | MCULE-5276546081.smiles |
| Standard InChI | MCULE-5276546081.inchi |
| InChIKey | MCULE-5276546081.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851489140 | AmBeed | On request | N/A | As is | by synthesis |
| P-611037699 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-520089321 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888641823 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869129689 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611473987 | Toronto Research | In stock | 90 | As is | in stock |
| P-875763394 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-874644556 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
| P-851702644 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-596960497 | Angene | Building Blocks in stock | 98 | As a main component | 100 g |
| P-619595971 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-488556160 | InterBioScreen | Bioactive compounds | 92 | As a main component | in stock |
| P-488544955 | InterBioScreen | Building Blocks | 90 | As a main component | in stock |
| P-856009371 | Key Organics | Biochemicals | 98 | As a main component | 100 mg |
| P-579617506 | LabSeeker, Inc | Stock Collection | 98 | As a main component | in stock |
| P-856025292 | LaboTest | Screening Collection | 90 | As a main component | 500 mg |
| P-854910188 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-454365201 | Pharmeks LLC | Building Blocks | 92 | As a main component | in stock |
| P-13976502 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
| P-500396693 | Pi Chemicals | Virtual Compounds | 98 | As a main component | by synthesis |
| P-889853162 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-885534660 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-617728563 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As a main component | 1.005 g |
| P-617779548 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 1.005 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.428 |
| logP | 4.3557 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 12.47 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 98.019 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 23 |
| Hydrogen atoms | 25 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
