Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1275076931
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-1275076931.sdf |
| SMILES | MCULE-1275076931.smiles |
| Standard InChI | MCULE-1275076931.inchi |
| InChIKey | MCULE-1275076931.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867661796 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875830580 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869189080 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505352752 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505404033 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-903205722 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 2 kg |
| P-606923273 | AmBeed | In stock | N/A | As is | in stock |
| P-596972824 | Angene | Building Blocks in stock | 97 | As is | 1000 g |
| P-864142013 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580722700 | BLD pharm | In-stock building blocks | 97 | As is | 1.11225 kg |
| P-893219357 | Biosynth | In Stock | 95 | As is | in stock |
| P-893236073 | Biosynth | In Stock | 95 | As is | in stock |
| P-851278213 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868577722 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-889435304 | FluoroChem | General BB | N/A | As is | in stock |
| P-870652224 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-505497869 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-492243114 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488555363 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488555256 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524443331 | Key Organics | Biochemicals | 97 | As is | 1.018 g |
| P-856033961 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-854721714 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-902978957 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474021589 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608276206 | Molnova | Stock | 98 | As is | in stock |
| P-500403768 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885546554 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-424851365 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-579710484 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-869111186 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892287714 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888629191 | TargetMol | Screening Compounds - stock amount | 95 | As is | 51 mg |
| P-1989948 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 120 mg |
| P-666982485 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 310.390 |
| logP | 5.1878 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 17.82 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 97.899 |
| Atoms | 42 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
