MCULE-5692410129
- 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 | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 19 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-5692410129.sdf |
SMILES | MCULE-5692410129.smiles |
Standard InChI | MCULE-5692410129.inchi |
InChIKey | MCULE-5692410129.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892980753 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-3939262 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-454690428 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15159070 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-436445177 | Chemical Block | Building Blocks | 90 | As is | 20 g |
P-359723 | Chemical Block | Screening Library | 90 | As is | 285 mg |
P-34734696 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-492231332 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502884929 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502502487 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-13778197 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-13975840 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-19587007 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33453768 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502359721 | TimTec | Building Block Collection | 90 | As is | in stock |
P-2802331 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 128 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 253.259 |
logP | 1.9373 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 76.58 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 69.3367 |
Atoms | 30 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |