MCULE-7585389399
- 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 | 38 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 95 | 18 working days | Get Quote |
10 mg | 50 USD | 95 | 18 working days | Get Quote |
- 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-5416945957
- Component type: Main
-
MCULE-1891065471
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7585389399.sdf |
SMILES | MCULE-7585389399.smiles |
Standard InChI | MCULE-7585389399.inchi |
InChIKey | MCULE-7585389399.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867407547 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-612935829 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-489228757 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-870024727 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596589311 | Key Organics | Building Blocks | 90 | As is | 5 g |
P-468057358 | Life Chemicals | Building Blocks | 95 | As is | 259 mg |
P-25758267 | Life Chemicals | Screening Compounds | 90 | As is | 259 mg |
P-588250646 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852384211 | Matrix Scientific | All | N/A | As is | in stock |
P-869024716 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19120040 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-902630055 | Specs | Natural Products | 80 | As is | 15 mg |
P-12508900 | Specs | Screening Compounds | 90 | As is | 15 mg |
P-33464510 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502331489 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888355640 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855233642 | Toronto Research | In stock | 90 | As is | in stock |
P-3231013 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 9.099 g |
P-24874958 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 9.099 g |
P-852097528 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-875793946 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-617652641 | ChemDiv | Building Blocks in stock | 90 | As a main component | in stock |
P-619826388 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 0 mg |
P-861377257 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-278331989 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-580784867 | Crea-Chim | Building Blocks | 90 | As a main component | by resynthesis (? - ? days) |
P-580495882 | Manchester Organics | Compounds on demand | 95 | As a main component | by synthesis |
P-852607054 | Matrix Scientific | All | N/A | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 212.290 |
logP | 2.8048 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 24.92 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 66.1057 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 16 |
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 |