MCULE-2927862684
- 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 | N/A | 9 working days | Get Quote |
5 mg | 6 USD | N/A | 9 working days | Get Quote |
10 mg | 6 USD | N/A | 9 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-2780065478
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2927862684.sdf |
SMILES | MCULE-2927862684.smiles |
Standard InChI | MCULE-2927862684.inchi |
InChIKey | MCULE-2927862684.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875830328 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590379031 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606922329 | AmBeed | In stock | N/A | As is | in stock |
P-596972714 | Angene | Building Blocks in stock | N/A | As is | 50 g |
P-864211766 | AstaTech | Backordered BBs | 97 | As is | by synthesis |
P-893218340 | Biosynth | In Stock | 95 | As is | in stock |
P-505498155 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-854062822 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-24482623 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-524441072 | Key Organics | Biochemicals | 97 | As is | 403 mg |
P-500372500 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-854997819 | Toronto Research | In stock | 90 | As is | in stock |
P-868495206 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-867607384 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-875765968 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-869186215 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-505352226 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-505404160 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-580244459 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
P-606916332 | AmBeed | In stock | N/A | Main component | in stock |
P-596961334 | Angene | Building Blocks in stock | 97 | Main component | 2.5 kg |
P-881654049 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
P-864107844 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-893250501 | Biosynth | Synthesis | 95 | Main component | by synthesis |
P-861275703 | Chiralstar | Chiralstar Building Blocks | 95 | Main component | in stock |
P-488555905 | InterBioScreen | Bioactive compounds | 92 | Main component | in stock |
P-594274567 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-892296062 | TargetMol | In Stock BB | 95 | Main component | unavailable |
P-888656956 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 197 mg |
P-611421712 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 418.424 |
logP | -0.4136 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 169.38 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 96.1782 |
Atoms | 42 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 15 |
Heteroatoms | 11 |
N/O atoms | 8 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |