MCULE-3599077747
- 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 | 26 USD | 98 | 11 working days | Get Quote |
5 mg | 26 USD | 98 | 11 working days | Get Quote |
10 mg | 26 USD | 98 | 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.
Name | File |
---|---|
SDF | MCULE-3599077747.sdf |
SMILES | MCULE-3599077747.smiles |
Standard InChI | MCULE-3599077747.inchi |
InChIKey | MCULE-3599077747.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-25942776 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 41 mg |
P-500414796 | AvaChem Scientific | All products | 99 | As is | by synthesis |
P-590628149 | BLD pharm | In-stock building blocks | 98 | As is | 350 mg |
P-871221865 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-452661042 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-861338145 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579478060 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-579623916 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-852466673 | Matrix Scientific | All | N/A | As is | in stock |
P-854693787 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-584617531 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878641261 | Molnova | Stock | 98 | As is | in stock |
P-617404921 | Selleckchem | Product Catalog | N/A | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 940.674 |
logP | 1.6861 |
H-bond acceptors | 26 |
H-bond donors | 15 |
Rotatable bonds | 16 |
PSA | 444.18 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 214.2745 |
Atoms | 99 |
Rings | 6 |
Heavy atoms | 67 |
Hydrogen atoms | 32 |
Heteroatoms | 26 |
N/O atoms | 26 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 5 |
R/S chiral centers | 5 |
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 |