MCULE-4647497000
- 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 | 5 USD | 95 | 8 working days | Get Quote |
5 mg | 5 USD | 95 | 8 working days | Get Quote |
10 mg | 5 USD | 95 | 8 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-2857428714
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4647497000.sdf |
SMILES | MCULE-4647497000.smiles |
Standard InChI | MCULE-4647497000.inchi |
InChIKey | MCULE-4647497000.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489126276 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-871218405 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-887966634 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-584621437 | MedKoo | In stock compounds | 95 | As is | in stock |
P-617402577 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-893538452 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 75.5 g |
P-579788321 | Apollo Scientific | In Stock | 95 | Main component | 23 g |
P-900154495 | AvaChem Scientific | In stock | 95 | Main component | in stock |
P-580722946 | BLD pharm | In-stock building blocks | 95 | Main component | 146 g |
P-900268385 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
P-505575599 | Bosche Scientific | Bosche Products | 98 | Main component | in stock |
P-881634038 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
P-851268101 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-608497326 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
P-579617099 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
P-852459053 | Matrix Scientific | All | N/A | Main component | in stock |
P-896630146 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-474024874 | MedKoo | In stock compounds | 95 | Main component | in stock |
P-608276115 | Molnova | Stock | 98 | Main component | in stock |
P-579709983 | Selleckchem | Product Catalog | N/A | Main component | in stock |
P-590870411 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
P-856081850 | LabSeeker, Inc | On demand Catalog | 98 | Main component as a main component | by resynthesis (? - ? days) |
P-852464310 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 498.403 |
logP | -0.8477 |
H-bond acceptors | 13 |
H-bond donors | 3 |
Rotatable bonds | 10 |
PSA | 216.2 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 114.514 |
Atoms | 55 |
Rings | 3 |
Heavy atoms | 35 |
Hydrogen atoms | 20 |
Heteroatoms | 15 |
N/O atoms | 13 |
Inorganic atoms | 2 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |