MCULE-3497611863
- 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 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 19 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-3497611863.sdf |
SMILES | MCULE-3497611863.smiles |
Standard InChI | MCULE-3497611863.inchi |
InChIKey | MCULE-3497611863.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-617820106 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-13449485 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-579326942 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-454100537 | Specs | Screening Compounds | 90 | As is | 12 mg |
P-2896775 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 401.481 |
logP | 5.357 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 135.42 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 118.2819 |
Atoms | 51 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 23 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |