MCULE-9453680311-0
- 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 | 164 USD | 90 | 8 working days | Get Quote |
5 mg | 377 USD | 90 | 25 working days | Get Quote |
10 mg | 411 USD | 90 | 25 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-5815276554-0
- Component type: Main
-
MCULE-2555081181-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9453680311-0.sdf |
SMILES | MCULE-9453680311-0.smiles |
Standard InChI | MCULE-9453680311-0.inchi |
InChIKey | MCULE-9453680311-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867458585 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-590357233 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851564467 | AmBeed | On request | N/A | As is | by synthesis |
P-596514052 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596394536 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590829032 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-580418248 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861931714 | FluoroChem | General BB | N/A | As is | in stock |
P-579681313 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-852382601 | Matrix Scientific | All | N/A | As is | in stock |
P-895543635 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500400687 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-588722160 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-852401755 | Matrix Scientific | All | N/A | As a main component | in stock |
P-896126434 | Specs | Screening Compounds | 90 | As a main component | 3 mg |
P-873216026 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-875267054 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 3 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 239.355 |
logP | 4.4907 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 78.0837 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 21 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |