MCULE-8931974988
- 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 | 65 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.
-
MCULE-1764586823
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8931974988.sdf |
SMILES | MCULE-8931974988.smiles |
Standard InChI | MCULE-8931974988.inchi |
InChIKey | MCULE-8931974988.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-579245864 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-886006814 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-619328289 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 41 mg |
P-24171103 | InterBioScreen | Screening Compounds | 92 | As a main component | 152 mg |
P-25738466 | Life Chemicals | Screening Compounds | 90 | As a main component | in stock |
P-674414228 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 152 mg |
P-18884273 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-617791017 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 30 mg |
P-418582 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 345 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 421.354 |
logP | 6.0692 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 45.53 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 112.696 |
Atoms | 43 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 17 |
Heteroatoms | 4 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |