MCULE-6248715237-0
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-6248715237-0.sdf |
SMILES | MCULE-6248715237-0.smiles |
Standard InChI | MCULE-6248715237-0.inchi |
InChIKey | MCULE-6248715237-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886849040 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890117320 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-517097398 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-191477 | Chemical Block | Screening Library | 90 | As is | 2 mg |
P-34159275 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-608489085 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873227965 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888593020 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-892358973 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | unavailable |
P-893844741 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 288.727 |
logP | 3.2622 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 58.2 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 79.7649 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |