Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9705418749
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-9705418749.sdf |
| SMILES | MCULE-9705418749.smiles |
| Standard InChI | MCULE-9705418749.inchi |
| InChIKey | MCULE-9705418749.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867563322 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875722888 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869187268 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505390535 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903052108 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 4 kg |
| P-606934245 | AmBeed | In stock | N/A | As is | in stock |
| P-596946005 | Angene | Building Blocks in stock | 97 | As is | 2.5 kg |
| P-494418638 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864163863 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-584628362 | BLD pharm | In-stock building blocks | 98 | As is | 540 g |
| P-901546772 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-893227683 | Biosynth | In Stock | 95 | As is | in stock |
| P-851286901 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868592810 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580302001 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901368130 | FluoroChem | In Stock BB | N/A | As is | 125 g |
| P-502939938 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-488549504 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13389196 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-524164904 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-856005931 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-613281300 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580470835 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852510999 | Matrix Scientific | All | N/A | As is | in stock |
| P-854737306 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-34007202 | Otava | In-House Stock Library | 90 | As is | 88 mg |
| P-454368179 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-864662786 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500375755 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-885523839 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23969540 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-902563513 | Specs | Natural Products | 80 | As is | unavailable |
| P-899773177 | Specs | Repurposed Compounds | N/A | As is | unavailable |
| P-502331910 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611522573 | Toronto Research | In stock | 90 | As is | in stock |
| P-3227963 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-2377558 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-901163633 | XtalPi Inc. | Express Building Blocks | 98 | As is | in stock |
| P-615390894 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.269 |
| logP | 3.2932 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.2808 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
