MCULE-7763768633
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-7763768633.sdf |
SMILES | MCULE-7763768633.smiles |
Standard InChI | MCULE-7763768633.inchi |
InChIKey | MCULE-7763768633.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867414143 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-3855632 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-874544142 | ChemDiv | Discovery Chemistry Library | 90 | As is | 0 mg |
P-502505209 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502884882 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492231389 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488552375 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13783869 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596596385 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-454372898 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-14037452 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-19559415 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885518372 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33966946 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-873232697 | TimTec | Building Block Collection | 90 | As is | in stock |
P-464687324 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.01 g |
P-2784679 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.01 g |
Property | Value |
---|---|
Components | 1 |
Mass | 249.237 |
logP | 1.622 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 48.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.293 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 12 |
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 |