MCULE-1778270556
- 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 | 23 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 64 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-8766450096
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1778270556.sdf |
SMILES | MCULE-1778270556.smiles |
Standard InChI | MCULE-1778270556.inchi |
InChIKey | MCULE-1778270556.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867340820 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-894620983 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851487280 | AmBeed | On request | N/A | As is | by synthesis |
P-611177529 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-577176300 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-580089477 | Eximed | Building Block Catalog | 95 | As is | 1.32 g |
P-579803411 | Eximed | In-stock screening compounds | 90 | As is | 1.32 g |
P-870580143 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-870568955 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502505550 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-488551604 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13765154 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596588116 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-613315073 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-854904946 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-620226439 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.32 g |
P-674896379 | Otava | In-House Stock Library | 90 | As is | 1.32 g |
P-454369559 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13998593 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856065984 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.32 g |
P-520061782 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855270500 | Toronto Research | In stock | 90 | As is | in stock |
P-2764123 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.009 g |
P-3228026 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.009 g |
Property | Value |
---|---|
Components | 1 |
Mass | 219.240 |
logP | 0.6887 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 75.43 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.0756 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |