Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5092130646
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 | 24 USD | 92 | 18 working days | Get Quote |
| 5 mg | 35 USD | 95 | 7 working days | Get Quote |
| 10 mg | 47 USD | 92 | 18 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-5092130646.sdf |
| SMILES | MCULE-5092130646.smiles |
| Standard InChI | MCULE-5092130646.inchi |
| InChIKey | MCULE-5092130646.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867566128 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875725904 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595215977 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903055139 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 300 mg |
| P-893517269 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 8.5 g |
| P-888307418 | AmBeed | In stock | N/A | As is | in stock |
| P-596982834 | Angene | Building Blocks in stock | 98 | As is | 300 mg |
| P-872722898 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-596330257 | Asinex | General screening catalog | 90 | As is | 4 mg |
| P-474029830 | AsisChem | Bio-active small molecules and intermediates | 95 | As is | in stock |
| P-865981228 | AsisChem | In-stock Compounds for biological screening | 95 | As is | in stock |
| P-864152682 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868545874 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-901481147 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-4962625 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-861345894 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-13157162 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-855913444 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-854716043 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584622422 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888170684 | Molnova | On demand | 98 | As is | by synthesis |
| P-644236068 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-13305142 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-23837810 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-869120274 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892289397 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888635089 | TargetMol | Screening Compounds - stock amount | 95 | As is | 142 mg |
| P-611466128 | Toronto Research | In stock | 90 | As is | in stock |
| P-611424698 | Toronto Research | In stock | 90 | As is | in stock |
| P-471921 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 133 mg |
| P-868496503 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 337.842 |
| logP | 3.4966 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 70.23 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 96.7081 |
| Atoms | 47 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
