MCULE-9003487123
- 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 | 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-9003487123.sdf |
SMILES | MCULE-9003487123.smiles |
Standard InChI | MCULE-9003487123.inchi |
InChIKey | MCULE-9003487123.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852135450 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-34891248 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436473840 | Alinda | Building Blocks | 95 | As is | in stock |
P-492256806 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-3853864 | ChemBridge | EXPRESS-Pick Collection | 85 | As is | 25 mg |
P-454687152 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15154643 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-436444112 | Chemical Block | Building Blocks | 90 | As is | 15.17 g |
P-341917 | Chemical Block | Screening Library | 90 | As is | 142 mg |
P-34729969 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862041085 | FluoroChem | General BB | N/A | As is | in stock |
P-855977962 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852533711 | Matrix Scientific | All | N/A | As is | in stock |
P-19648970 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502340868 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22532710 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 200 mg |
P-611581198 | Toronto Research | In stock | 90 | As is | in stock |
P-1910683 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 77 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 182.180 |
logP | 0.0252 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 80.9 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 42.9308 |
Atoms | 23 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 10 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |