MCULE-7856067315
- 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 | 70 USD | 90 | 8 working days | Get Quote |
5 mg | 98 USD | 90 | 12 working days | Get Quote |
10 mg | 98 USD | 90 | 12 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-7856067315.sdf |
SMILES | MCULE-7856067315.smiles |
Standard InChI | MCULE-7856067315.inchi |
InChIKey | MCULE-7856067315.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852139335 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889953218 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894662492 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436473160 | Alinda | Building Blocks | 95 | As is | in stock |
P-454732804 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861538813 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862069872 | FluoroChem | General BB | N/A | As is | in stock |
P-855977541 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852533124 | Matrix Scientific | All | N/A | As is | in stock |
P-854932838 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-639076637 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-502374157 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22528597 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 120 mg |
P-855325741 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 253.211 |
logP | 2.1765 |
H-bond acceptors | 8 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 124.25 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 64.1532 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 11 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |