MCULE-3621313219
- 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 | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-3479863507
- Component type: Main
-
MCULE-9317939783
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3621313219.sdf |
SMILES | MCULE-3621313219.smiles |
Standard InChI | MCULE-3621313219.inchi |
InChIKey | MCULE-3621313219.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867313515 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-867459622 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894663164 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-449242246 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-488549561 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13700343 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-852387738 | Matrix Scientific | All | N/A | As is | in stock |
P-454368215 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13792545 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-584600123 | Alinda | Building Blocks | 95 | As a main component | in stock |
P-851863759 | AmBeed | On request | N/A | As a main component | by synthesis |
P-892495649 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
P-591015451 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-619932632 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
P-580088707 | Eximed | Building Block Catalog | 95 | As a main component | 7.04 g |
P-579798918 | Eximed | In-stock screening compounds | 90 | As a main component | 7.04 g |
P-675508075 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
P-580005177 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
P-580036585 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-852395598 | Matrix Scientific | All | N/A | As a main component | in stock |
P-492286549 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As a main component | 7.04 g |
P-34065657 | Otava | In-House Stock Library | 90 | As a main component | 7.04 g |
P-617604666 | Specs | Screening Compounds | 90 | As a main component | 300 mg |
P-855301615 | Toronto Research | In stock | 90 | As a main component | in stock |
P-617713939 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As a main component | 7.039 g |
P-617768111 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 7.039 g |
Property | Value |
---|---|
Components | 1 |
Mass | 222.283 |
logP | 1.4574 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 33.73 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.3967 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |