MCULE-2862030103
- 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 | 100 USD | N/A | 35 working days | Get Quote |
5 mg | 100 USD | N/A | 35 working days | Get Quote |
10 mg | 100 USD | N/A | 35 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-2699625592
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-2862030103.sdf |
SMILES | MCULE-2862030103.smiles |
Standard InChI | MCULE-2862030103.inchi |
InChIKey | MCULE-2862030103.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-890140511 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-891647877 | AmBeed | On request | N/A | As is | by synthesis |
P-895093719 | Angene | Building Blocks in stock | 97 | As is | 100 mg |
P-873247376 | Key Organics | Building Blocks | 97 | As is | 50 mg |
P-852601042 | Matrix Scientific | All | N/A | As is | in stock |
P-22502989 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 82 mg |
P-893689224 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 430.451 |
logP | 4.0848 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 79.31 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 120.0708 |
Atoms | 54 |
Rings | 5 |
Heavy atoms | 32 |
Hydrogen atoms | 22 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |