MCULE-7000333165
- 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 | 23 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 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.
Name | File |
---|---|
SDF | MCULE-7000333165.sdf |
SMILES | MCULE-7000333165.smiles |
Standard InChI | MCULE-7000333165.inchi |
InChIKey | MCULE-7000333165.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886297254 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-870126963 | ChemDiv | Discovery Chemistry Library | 90 | As is | 27 mg |
P-516880734 | Eximed | In-stock screening compounds | 90 | As is | 350 mg |
P-14733910 | Life Chemicals | Screening Compounds | 90 | As is | 25 mg |
P-624171942 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-881178498 | Otava | In-House Stock Library | 90 | As is | 350 mg |
P-13853944 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-520116034 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-868140120 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-578106143 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 305 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 341.364 |
logP | 1.4041 |
H-bond acceptors | 8 |
H-bond donors | 4 |
Rotatable bonds | 7 |
PSA | 119.47 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 99.0154 |
Atoms | 44 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 19 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |