MCULE-5708902349-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 130 USD | 90 | 27 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-2346849427-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5708902349-0.sdf |
SMILES | MCULE-5708902349-0.smiles |
Standard InChI | MCULE-5708902349-0.inchi |
InChIKey | MCULE-5708902349-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-7509146 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 20 mg |
P-617602057 | Specs | Screening Compounds | 90 | As is | 289 mg |
P-852140683 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-875846551 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-851449512 | AmBeed | On request | N/A | Main component | by synthesis |
P-596421196 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
P-596493437 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
P-590774210 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
P-852382776 | Matrix Scientific | All | N/A | Main component | in stock |
P-895627909 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-19177056 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-873216029 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-855222720 | Toronto Research | In stock | 90 | Main component | in stock |
P-35083347 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 2 mg |
Property | Value |
---|---|
Components | 3 |
Mass | 325.246 |
logP | 3.5704 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 24.5 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 87.5287 |
Atoms | 43 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 23 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |