Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5057449805
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-5057449805.sdf |
| SMILES | MCULE-5057449805.smiles |
| Standard InChI | MCULE-5057449805.inchi |
| InChIKey | MCULE-5057449805.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867557630 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875717126 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-579761016 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903045062 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 150 g |
| P-489114076 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-597007194 | Angene | Building Blocks in stock | 98 | As is | 50 g |
| P-494327036 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-870064372 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-864094360 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481169670 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 60 g |
| P-590998196 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-893253174 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-4643028 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-4662932 | ChemDiv | Discovery Chemistry Library | 90 | As is | 11 mg |
| P-868578956 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34795772 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580272651 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862035705 | FluoroChem | General BB | N/A | As is | in stock |
| P-870656708 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-504150697 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-580046834 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12643851 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-454354260 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-579660727 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-856044913 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31197653 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-904195252 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-14589535 | Life Chemicals | Screening Compounds | 90 | As is | 261 mg |
| P-852387825 | Matrix Scientific | All | N/A | As is | in stock |
| P-519761831 | Maybridge | Maybridge Building Blocks | 97 | As is | 1.3989 kg |
| P-35190917 | Maybridge | Screening Collection | 97 | As is | 1398.9 kg |
| P-854786921 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13334092 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500374020 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19239836 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22792230 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502333896 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888371329 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-1043207 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 492 mg |
| P-575300875 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 237.637 |
| logP | 3.0016 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 63.33 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 58.8743 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
