MCULE-4729904015
- 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 | 8 USD | 97 | 20 working days | Get Quote |
5 mg | 8 USD | 97 | 20 working days | Get Quote |
10 mg | 8 USD | 97 | 20 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-7956034964
- Component type: Main
-
1
MCULE-7907563410
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4729904015.sdf |
SMILES | MCULE-4729904015.smiles |
Standard InChI | MCULE-4729904015.inchi |
InChIKey | MCULE-4729904015.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889906658 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-616223168 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851440112 | AmBeed | On request | N/A | As is | by synthesis |
P-855094679 | Toronto Research | In stock | 90 | As is | in stock |
P-867540288 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
P-612879969 | A2B Chem | Predominantly Building Block on demand | 90 | Main component | by synthesis |
P-889905482 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-875696939 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-613850421 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-872944195 | AmBeed | On request | N/A | Main component | by synthesis |
P-597009114 | Angene | Building Blocks in stock | 99 | Main component | 2 g |
P-896026434 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-13922584 | InterBioScreen | Natural Compounds | 92 | Main component | 174 mg |
P-500410319 | Pi Chemicals | Virtual Compounds | 95 | Main component | by synthesis |
P-594273621 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-892295231 | TargetMol | In Stock BB | 95 | Main component | unavailable |
P-892337634 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 202 mg |
P-594195576 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 16 mg |
P-875744761 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-616208249 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
P-851872991 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
P-851930413 | AmBeed | In stock | N/A | Main component as a main component | in stock |
P-619168583 | Angene | Building Blocks in stock | 97 | Main component as a main component | 4 kg |
P-864159045 | AstaTech | In Stock BBs | 98 | Main component as a main component | in stock |
P-893243053 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
P-861285919 | Chiralstar | Chiralstar Building Blocks | 95 | Main component as a main component | in stock |
P-666973060 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 483.517 |
logP | -1.2755 |
H-bond acceptors | 12 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 195.49 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 68.9408 |
Atoms | 35 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 11 |
Heteroatoms | 14 |
N/O atoms | 12 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 4 |
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 |