MCULE-9590620604-0
- 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 | 32 USD | 98 | 16 working days | Get Quote |
5 mg | 32 USD | 98 | 16 working days | Get Quote |
10 mg | 32 USD | 98 | 16 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.
-
1
MCULE-8015780530-0
- Component type: Main
-
1
MCULE-6572487779-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9590620604-0.sdf |
SMILES | MCULE-9590620604-0.smiles |
Standard InChI | MCULE-9590620604-0.inchi |
InChIKey | MCULE-9590620604-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867436618 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-13918698 | InterBioScreen | Natural Compounds | 92 | Main component | 300 mg |
P-596562318 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
P-878647368 | Molnova | Stock | 98 | Main component | in stock |
P-519979962 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-889873419 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-617060912 | Allbio Pharm | In stock | N/A | Main component as a main component | in stock |
P-489197800 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
P-892483655 | Asinex | General screening catalog | 90 | Main component as a main component | 3 mg |
P-580451962 | CliniSciences S.A.S | All products | 99 | Main component as a main component | in stock |
P-505497688 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
P-13822991 | Pharmeks LLC | Semi-natural compounds | 92 | Main component as a main component | 300 mg |
P-500403756 | Pi Chemicals | Virtual Compounds | 99 | Main component as a main component | by synthesis |
P-885534661 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
P-596714830 | TimTec | ActiMol 1 Week - Stock | 90 | Main component as a main component | 30 mg |
P-611473984 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-617787401 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 113 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 380.460 |
logP | 3.4726 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 108.08 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 103.267 |
Atoms | 50 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 24 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |