Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3379531290
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 | 90 | 21 working days | Get Quote |
| 5 mg | 20 USD | 90 | 21 working days | Get Quote |
| 10 mg | 20 USD | 90 | 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-3379531290.sdf |
| SMILES | MCULE-3379531290.smiles |
| Standard InChI | MCULE-3379531290.inchi |
| InChIKey | MCULE-3379531290.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852082057 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-875760981 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869307896 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436472082 | Alinda | Building Blocks | 95 | As is | 2 g |
| P-34859159 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-893224885 | Biosynth | In Stock | 95 | As is | in stock |
| P-454728314 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-861532382 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-666730706 | Eximed | In-stock screening compounds | 90 | As is | 2.95 g |
| P-569433951 | Eximed | Building Block Catalog | 95 | As is | 6.15 g |
| P-569195121 | Eximed | In-stock screening compounds | 90 | As is | 6.15 g |
| P-889316060 | FluoroChem | General BB | N/A | As is | in stock |
| P-862053645 | FluoroChem | General BB | N/A | As is | in stock |
| P-890204177 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579483696 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 522 mg |
| P-492219850 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502981607 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454398010 | Key Organics | Building Blocks | 90 | As is | 111 mg |
| P-18782122 | Key Organics | Screening Compounds and Fragments | 90 | As is | 111 mg |
| P-588250676 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852532190 | Matrix Scientific | All | N/A | As is | in stock |
| P-35219212 | Maybridge | Screening Collection | 90 | As is | 6.828 kg |
| P-854842789 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-579723460 | Menai Organics | Building blocks | 90 | As is | in stock |
| P-579725299 | Menai Organics | Screening compounds | 90 | As is | in stock |
| P-620235430 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 6.15 g |
| P-26536953 | Otava | In-House Stock Library | 90 | As is | 6.15 g |
| P-856072453 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 6.15 g |
| P-23214418 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502354436 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888449476 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611483657 | Toronto Research | In stock | 90 | As is | in stock |
| P-3001102 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.799 g |
| P-893862544 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.277 |
| logP | 1.66708 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 71.35 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.3707 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
