MCULE-1508337137
- 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 | 6 USD | 99 | 14 working days | Get Quote |
5 mg | 6 USD | 99 | 14 working days | Get Quote |
10 mg | 6 USD | 99 | 14 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-4102614655
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1508337137.sdf |
SMILES | MCULE-1508337137.smiles |
Standard InChI | MCULE-1508337137.inchi |
InChIKey | MCULE-1508337137.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-606957335 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-895514442 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-903053750 | Aaron Chemicals LLC | Predominantly Building Block | 99 | Main component | 75 kg |
P-905480307 | Accela ChemBio | In stock | 98 | Main component | 1000 g |
P-893301557 | Allbio Pharm | In stock | N/A | Main component | in stock |
P-489140537 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-895955221 | Apollo Scientific | In Stock | 95 | Main component | unavailable |
P-580733684 | BLD pharm | In-stock building blocks | 98 | Main component | 2.25 kg |
P-868576815 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
P-905350803 | FluoroChem | German Stock BB | 99 | Main component | 440 g |
P-862084838 | FluoroChem | China Stock BB | 99 | Main component | 76.3999 kg |
P-493677448 | Iris Biotech GmbH | Building Block Library | N/A | Main component | in stock |
P-852444031 | Matrix Scientific | All | N/A | Main component | in stock |
P-896628151 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-854691744 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-619672499 | Molnova | Stock | 98 | Main component | in stock |
P-617403607 | Selleck Biotechnology GmbH | Product Catalog | N/A | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 240.684 |
logP | 2.6246 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 79.11 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 64.3229 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |