Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1342583521
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 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-1342583521.sdf |
| SMILES | MCULE-1342583521.smiles |
| Standard InChI | MCULE-1342583521.inchi |
| InChIKey | MCULE-1342583521.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860618442 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-890177728 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-894657670 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-866097181 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | 20.4 g |
| P-851511265 | AmBeed | On request | N/A | As is | by synthesis |
| P-494375470 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-596272462 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596486621 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-590781797 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-577152182 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-874567783 | ChemDiv | Discovery Chemistry Library | 90 | As is | 0 mg |
| P-861984358 | FluoroChem | General BB | N/A | As is | in stock |
| P-502475300 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488554448 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-427866674 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-454282424 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
| P-852403551 | Matrix Scientific | All | N/A | As is | in stock |
| P-864013498 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492284697 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 8.585 g |
| P-12914531 | Otava | In-House Stock Library | 90 | As is | 8.585 g |
| P-454374999 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-864646305 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-519901172 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885531114 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-454247951 | Specs | Screening Compounds | 90 | As is | 17 mg |
| P-502339190 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-464690881 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.499 g |
| P-424661529 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.499 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.288 |
| logP | 1.0748 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 76.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 75.0958 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
