MCULE-3768650151
- 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.
-
MCULE-6834627831
- Component type: Main
-
MCULE-8234838368
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3768650151.sdf |
SMILES | MCULE-3768650151.smiles |
Standard InChI | MCULE-3768650151.inchi |
InChIKey | MCULE-3768650151.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893076646 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-502739790 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-647379644 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-3289226 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 25 mg |
P-619307939 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 7 mg |
P-34708696 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-24324759 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
P-13575548 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
P-617760444 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 251 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 335.442 |
logP | 2.8543 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 26.79 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 112.031 |
Atoms | 50 |
Rings | 4 |
Heavy atoms | 25 |
Hydrogen atoms | 25 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |