MCULE-2708613403
- 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 | 13 USD | 76 | 11 working days | Get Quote |
5 mg | 13 USD | 76 | 11 working days | Get Quote |
10 mg | 13 USD | 76 | 11 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-1636235304
- Component type: Main
-
1
MCULE-5932450224
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2708613403.sdf |
SMILES | MCULE-2708613403.smiles |
Standard InChI | MCULE-2708613403.inchi |
InChIKey | MCULE-2708613403.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-888172280 | Molnova | On demand | 98 | As is | by synthesis |
P-500413433 | AvaChem Scientific | All products | 95 | Main component | by synthesis |
P-871221758 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
P-851278319 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868598789 | Combi-Blocks | Building Block in stock | 76 | Main component | in stock |
P-579477003 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
P-854690668 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-579710832 | Selleckchem | Product Catalog | N/A | Main component | in stock |
P-489198188 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
P-871221846 | BOC Sciences | All products | N/A | Main component as a main component | by resynthesis (? - ? days) |
P-861347575 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
P-868661573 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
P-579628353 | LabSeeker, Inc | Stock Collection | 98 | Main component as a main component | in stock |
P-854692872 | MedChemExpress | Natural Products In stock | 95 | Main component as a main component | in stock |
P-854691691 | MedChemExpress | Natural Products In stock | 95 | Main component as a main component | in stock |
P-888171659 | Molnova | On demand | 98 | Main component as a main component | by synthesis |
P-619671574 | Molnova | Stock | 98 | Main component as a main component | in stock |
P-619673477 | Molnova | Stock | 98 | Main component as a main component | in stock |
P-617404724 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
P-617404632 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
P-617401708 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 861.020 |
logP | 0.9109 |
H-bond acceptors | 16 |
H-bond donors | 7 |
Rotatable bonds | 7 |
PSA | 269.87 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 200.8981 |
Atoms | 120 |
Rings | 7 |
Heavy atoms | 59 |
Hydrogen atoms | 61 |
Heteroatoms | 17 |
N/O atoms | 16 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 19 |
R/S chiral centers | 19 |
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 |