MCULE-1409269801
- 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 | 57 USD | 95 | 13 working days | Get Quote |
5 mg | 114 USD | 95 | 14 working days | Get Quote |
10 mg | 183 USD | 95 | 14 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-1409269801.sdf |
SMILES | MCULE-1409269801.smiles |
Standard InChI | MCULE-1409269801.inchi |
InChIKey | MCULE-1409269801.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-610960944 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.194 g |
P-500414656 | AvaChem Scientific | All products | 95 | As is | by synthesis |
P-871219455 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-861488348 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579480002 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-854712628 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-870132559 | R&D Scientific | All | 97 | As is | in stock |
P-617405030 | Selleckchem | Product Catalog | N/A | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 723.642 |
logP | 2.8531 |
H-bond acceptors | 14 |
H-bond donors | 5 |
Rotatable bonds | 13 |
PSA | 215.22 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 166.9193 |
Atoms | 87 |
Rings | 5 |
Heavy atoms | 51 |
Hydrogen atoms | 36 |
Heteroatoms | 17 |
N/O atoms | 14 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
Chiral centers | 6 |
R/S chiral centers | 6 |
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 |