Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1262344243
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 | 52 USD | N/A | 22 working days | Get Quote |
| 5 mg | 52 USD | N/A | 22 working days | Get Quote |
| 10 mg | 52 USD | N/A | 22 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-1262344243.sdf |
| SMILES | MCULE-1262344243.smiles |
| Standard InChI | MCULE-1262344243.inchi |
| InChIKey | MCULE-1262344243.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867633544 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875798265 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590362956 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-489178819 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-481166829 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 250 mg |
| P-861925764 | FluoroChem | General BB | 95 | As is | in stock |
| P-454353236 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-856042579 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31267705 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852450125 | Matrix Scientific | All | N/A | As is | in stock |
| P-864054189 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-502330252 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-893856719 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.170 |
| logP | 0.1346 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 77.41 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.4294 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
