MCULE-9900834050
- 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 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 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.
-
MCULE-9356109023
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9900834050.sdf |
SMILES | MCULE-9900834050.smiles |
Standard InChI | MCULE-9900834050.inchi |
InChIKey | MCULE-9900834050.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-896176434 | Specs | Screening Compounds | 90 | As is | 10 mg |
P-504745306 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 10 mg |
P-24174625 | InterBioScreen | Screening Compounds | 92 | As a main component | unavailable |
P-13303151 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 2 mg |
P-675089521 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-617741572 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 9 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 393.478 |
logP | 3.7464 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 63.69 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 115.8097 |
Atoms | 56 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 27 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |