Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1597879690
Compound
Show structures
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 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.
-
1
MCULE-4788554377
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1597879690.sdf |
| SMILES | MCULE-1597879690.smiles |
| Standard InChI | MCULE-1597879690.inchi |
| InChIKey | MCULE-1597879690.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-504751419 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-619303551 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
| P-24172360 | InterBioScreen | Screening Compounds | 92 | As is | 192 mg |
| P-13412581 | Pharmeks LLC | Synthetic compounds | 92 | As is | 192 mg |
| P-675104347 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22444271 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 8 mg |
| P-855328429 | Toronto Research | In stock | 90 | As is | in stock |
| P-892871879 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
| P-890167036 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-851606948 | AmBeed | On request | N/A | Main component | by synthesis |
| P-579783839 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-596489752 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-611082490 | BLD pharm | Non-stock building blocks | 90 | Main component | by synthesis |
| P-861368916 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-454376790 | Key Organics | Building Blocks | 90 | Main component | 2.226 g |
| P-18682459 | Key Organics | Screening Compounds and Fragments | 90 | Main component | 2.226 g |
| P-852540601 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854923038 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-24760527 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 30 mg |
| P-892486846 | Asinex | General screening catalog | 90 | Main component as a main component | 11 mg |
| P-892669700 | TimTec | ActiMol 4 Week - On demand | 94 | Main component as a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 337.257 |
| logP | 0.1462 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 25.95 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 97.6069 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 23 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
