MCULE-9221796957
- 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 | 28 USD | 92 | 18 working days | Get Quote |
5 mg | 43 USD | 92 | 18 working days | Get Quote |
10 mg | 54 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-9221796957.sdf |
SMILES | MCULE-9221796957.smiles |
Standard InChI | MCULE-9221796957.inchi |
InChIKey | MCULE-9221796957.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867415474 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-584544498 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-502981474 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-580005308 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488553143 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-618021934 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-596594142 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-620225355 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 7.84 g |
P-26440105 | Otava | In-House Stock Library | 90 | As is | 7.84 g |
P-454373293 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-674712834 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-856067621 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 7.84 g |
P-424852541 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-35134786 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 200.236 |
logP | 2.6008 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 48.38 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 60.3042 |
Atoms | 27 |
Rings | 3 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |