MCULE-3125760737-1
- 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 | 21 USD | 98 | 16 working days | Get Quote |
5 mg | 21 USD | 98 | 16 working days | Get Quote |
10 mg | 21 USD | 98 | 16 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-6153263942-1
- Component type: Main
-
MCULE-2579176875-0
- Component type: Main
-
MCULE-4580886895-0
- Component type: Main
-
MCULE-6733523567-0
- Component type: Main
-
MCULE-5944167376-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3125760737-1.sdf |
SMILES | MCULE-3125760737-1.smiles |
Standard InChI | MCULE-3125760737-1.inchi |
InChIKey | MCULE-3125760737-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893221725 | Biosynth | In Stock | 95 | As is | in stock |
P-890852569 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492243067 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-608280201 | Molnova | Stock | 98 | As is | in stock |
P-12736492 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-519957272 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885550538 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869175905 | TargetMol | Natural Products | 95 | As is | in stock |
P-25490966 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 80 mg |
P-893168403 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-867469694 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-867515883 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-867454559 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-901547146 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
P-901447453 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
P-893219170 | Biosynth | In Stock | 95 | As a main component | in stock |
P-893221920 | Biosynth | In Stock | 95 | As a main component | in stock |
P-885550536 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-854977817 | Toronto Research | In stock | 90 | As a main component | in stock |
P-855103023 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 174.201 |
logP | 0.5528 |
H-bond acceptors | 6 |
H-bond donors | 4 |
Rotatable bonds | 5 |
PSA | 127.72 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 44.535 |
Atoms | 26 |
Rings | 0 |
Heavy atoms | 12 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |