Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7076914635
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 36 USD | 95 | 21 working days | Get Quote |
| 10 mg | 36 USD | 95 | 21 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-7076914635.sdf |
| SMILES | MCULE-7076914635.smiles |
| Standard InChI | MCULE-7076914635.inchi |
| InChIKey | MCULE-7076914635.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892952809 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-489140368 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-488550586 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-856039705 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31273912 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-12680651 | Otava | In-House Stock Library | 90 | As is | 24 kg |
| P-492279883 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 24 kg |
| P-454368914 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-23899977 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885524479 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23336722 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502353013 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855254214 | Toronto Research | In stock | 90 | As is | in stock |
| P-1302837 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-3230077 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 112.940 |
| logP | 0.9906 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 21.52 |
| Atoms | 7 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 2 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
