MCULE-9354687206
- 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 | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 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.
-
1
MCULE-7253915138
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9354687206.sdf |
SMILES | MCULE-9354687206.smiles |
Standard InChI | MCULE-9354687206.inchi |
InChIKey | MCULE-9354687206.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3383004 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
P-617603493 | Specs | Screening Compounds | 90 | As is | 279 mg |
P-617767682 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.206 g |
P-617712645 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.206 g |
P-867458679 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-612935255 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-596421967 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
P-596493558 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
P-488548491 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
P-13620726 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
P-852382836 | Matrix Scientific | All | N/A | Main component | in stock |
P-621311509 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
P-454371353 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
P-13734527 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
P-885519175 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-873236938 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-855221925 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 323.255 |
logP | 3.0498 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 33.73 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 89.2557 |
Atoms | 44 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 24 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |