MCULE-2096184994
- 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 | 5 USD | 98 | 16 working days | Get Quote |
5 mg | 5 USD | 98 | 16 working days | Get Quote |
10 mg | 5 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-6117698403
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2096184994.sdf |
SMILES | MCULE-2096184994.smiles |
Standard InChI | MCULE-2096184994.inchi |
InChIKey | MCULE-2096184994.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867517620 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-867587458 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875746468 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-608433968 | Aldlab Chemicals | Building Block Stock | 95 | As is | 180.651 g |
P-606839092 | AmBeed | In stock | N/A | As is | in stock |
P-596954827 | Angene | Building Blocks in stock | 98 | As is | 6.64073 kg |
P-889445825 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-864151635 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868545709 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-579804948 | Eximed | In-stock screening compounds | 90 | As is | 5.81 g |
P-888750917 | Eximed | In-stock screening compounds | 90 | As is | 5 g |
P-580089826 | Eximed | Building Block Catalog | 95 | As is | 5.81 g |
P-505494663 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-870580399 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-870569158 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-488555931 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-488543824 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-620221442 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 5.81 g |
P-617666263 | Otava | In-House Stock Library | 90 | As is | 5.81 g |
P-454363779 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-500371909 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-888627055 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869108011 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-502372168 | TimTec | Building Block Collection | 90 | As is | in stock |
P-464690076 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.212 g |
P-2376671 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.212 g |
P-480999176 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
P-875709055 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-505393599 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-889508416 | AstaTech | Backordered BBs | 98 | As a main component | by synthesis |
P-505530228 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 229.259 |
logP | -0.0129 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 115.67 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 56.3082 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 11 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 0 |
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 |