MCULE-7397273315
- 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 | 7 USD | 96 | 8 working days | Get Quote |
5 mg | 7 USD | 96 | 8 working days | Get Quote |
10 mg | 7 USD | 96 | 8 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.
Name | File |
---|---|
SDF | MCULE-7397273315.sdf |
SMILES | MCULE-7397273315.smiles |
Standard InChI | MCULE-7397273315.inchi |
InChIKey | MCULE-7397273315.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893523623 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5 mg |
P-25940076 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 100 mg |
P-580719843 | BLD pharm | In-stock building blocks | 96 | As is | 3.155 kg |
P-871221530 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-452650455 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-868592681 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-579477604 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-579616408 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-896627831 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-854690803 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-608272269 | Molnova | Stock | 98 | As is | in stock |
P-579710877 | Selleckchem | Product Catalog | N/A | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 610.516 |
logP | -1.6871 |
H-bond acceptors | 16 |
H-bond donors | 10 |
Rotatable bonds | 6 |
PSA | 269.43 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 141.3788 |
Atoms | 73 |
Rings | 5 |
Heavy atoms | 43 |
Hydrogen atoms | 30 |
Heteroatoms | 16 |
N/O atoms | 16 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 10 |
R/S chiral centers | 10 |
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 |