MCULE-3955575945-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 45 USD | 98 | 16 working days | Get Quote |
10 mg | 45 USD | 98 | 16 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.
-
1
MCULE-3899419884-0
- Component type: Main
-
1
MCULE-5932450224-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3955575945-0.sdf |
SMILES | MCULE-3955575945-0.smiles |
Standard InChI | MCULE-3955575945-0.inchi |
InChIKey | MCULE-3955575945-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-619331727 | ChemDiv | Discovery Chemistry Library | 90 | As is | 371 mg |
P-500417908 | Glentham Life Sciences | Compounds maintained in stock | N/A | As is | in stock |
P-870662205 | Glentham Life Sciences | Compounds typically in stock | 1440 | As is | in stock |
P-608270106 | Molnova | Stock | 98 | As is | in stock |
P-885540646 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33300384 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-500417910 | Glentham Life Sciences | Compounds maintained in stock | 1645 | Main component as a main component | in stock |
P-870662200 | Glentham Life Sciences | Compounds typically in stock | 96 | Main component as a main component | in stock |
P-870662222 | Glentham Life Sciences | Compounds typically in stock | 96 | Main component as a main component | in stock |
P-855918777 | Key Organics | Building Blocks | 97 | Main component as a main component | 500 g |
P-675078796 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
P-885559465 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
P-33369969 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
P-617748163 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 415 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 372.482 |
logP | -0.1451 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 114.84 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 87.9142 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 17 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |