Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6823298540
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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 47 USD | N/A | 22 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-6823298540.sdf |
| SMILES | MCULE-6823298540.smiles |
| Standard InChI | MCULE-6823298540.inchi |
| InChIKey | MCULE-6823298540.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867603950 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875762198 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-494344469 | Apollo Scientific | In Stock | 95 | As is | 3 g |
| P-596508718 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-596282584 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-481173441 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 900 mg |
| P-901451054 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-868643024 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-502479190 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488544727 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-14009978 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-454398644 | Key Organics | Building Blocks | 95 | As is | 140 mg |
| P-454311759 | Key Organics | Screening Compounds and Fragments | 95 | As is | 140 mg |
| P-611666672 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852380300 | Matrix Scientific | All | N/A | As is | in stock |
| P-519750040 | Maybridge | Maybridge Building Blocks | 95 | As is | 3.5 g |
| P-35201702 | Maybridge | Screening Collection | 95 | As is | 913 g |
| P-854832855 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454364260 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13946357 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-579331040 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885528977 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502363441 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611485813 | Toronto Research | In stock | 90 | As is | in stock |
| P-464682282 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.02 g |
| P-3026024 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.02 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.231 |
| logP | 1.0939 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 64.71 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 52.9092 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
