MCULE-7970644373
- 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 | 368 USD | 90 | 25 working days | Get Quote |
10 mg | 376 USD | 97 | 24 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-7970644373.sdf |
SMILES | MCULE-7970644373.smiles |
Standard InChI | MCULE-7970644373.inchi |
InChIKey | MCULE-7970644373.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867459495 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851519218 | AmBeed | On request | N/A | As is | by synthesis |
P-596517358 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596449050 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590784923 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-852386862 | Matrix Scientific | All | N/A | As is | in stock |
P-869063143 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-491217934 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873237151 | TimTec | Building Block Collection | 90 | As is | in stock |
P-33175739 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 3 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 261.341 |
logP | 3.3624 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 78.43 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 73.9928 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |