Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4445406458
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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.
-
MCULE-9833802708
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4445406458.sdf |
| SMILES | MCULE-4445406458.smiles |
| Standard InChI | MCULE-4445406458.inchi |
| InChIKey | MCULE-4445406458.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867667209 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-875835126 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
| P-869194467 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505352756 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-617323400 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
| P-606837312 | AmBeed | In stock | N/A | As a main component | in stock |
| P-596973916 | Angene | Building Blocks in stock | 98 | As a main component | 9.9 kg |
| P-580194605 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-580722654 | BLD pharm | In-stock building blocks | 98 | As a main component | 5.1 kg |
| P-851278610 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-868593258 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-870662511 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
| P-505498391 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-596548673 | Key Organics | Biochemicals | 98 | As a main component | 100 mg |
| P-31197449 | LaboTest | Screening Collection | 90 | As a main component | 10 g |
| P-856043930 | LaboTest | Building Blocks | 90 | As a main component | 10 g |
| P-854721590 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-474023042 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-878641609 | Molnova | Stock | 98 | As a main component | in stock |
| P-500403770 | Pi Chemicals | Virtual Compounds | 98 | As a main component | by synthesis |
| P-675098337 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
| P-579711729 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
| P-502366425 | TimTec | Building Block Collection | 90 | As a main component | in stock |
| P-888453858 | TimTec | ActiMol 4 Week - On demand | 94 | As a main component | by resynthesis (? - ? days) |
| P-22527874 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 1000 mg |
| P-854993024 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-617781658 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 91 mg |
| P-615456874 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 334.558 |
| logP | 6.0627 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 15 |
| PSA | 9.23 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 107.4134 |
| Atoms | 64 |
| Rings | 1 |
| Heavy atoms | 24 |
| Hydrogen atoms | 40 |
| 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 |
