Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1846432952
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 59 USD | 98 | 12 working days | Get Quote |
| 10 mg | 59 USD | 98 | 12 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-1846432952.sdf |
| SMILES | MCULE-1846432952.smiles |
| Standard InChI | MCULE-1846432952.inchi |
| InChIKey | MCULE-1846432952.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886495426 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-872723677 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-870647849 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-596576861 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-524161647 | Key Organics | Building Blocks | 99 | As is | 5 g |
| P-563592317 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-856005486 | Key Organics | Screening Compounds and Fragments | 99 | As is | 100 mg |
| P-856006648 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-31196979 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-888666125 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885542300 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22855307 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-852023009 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 341.357 |
| logP | 2.75 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 95.86 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 91.1403 |
| Atoms | 44 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
