MCULE-2853997181
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 59 USD | 97 | 15 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.
Name | File |
---|---|
SDF | MCULE-2853997181.sdf |
SMILES | MCULE-2853997181.smiles |
Standard InChI | MCULE-2853997181.inchi |
InChIKey | MCULE-2853997181.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886612793 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-890157995 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869270480 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-887310966 | AmBeed | In stock | N/A | As is | in stock |
P-888819086 | Angene | Building Blocks in stock | 97 | As is | 7.9 g |
P-889780791 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-890243508 | BLD pharm | In-stock building blocks | 97 | As is | 3.07 g |
P-577200821 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
P-887076269 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-34526558 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502691062 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-675336156 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-12677296 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-12365606 | Otava | In-House Stock Library | 90 | As is | 100 mg |
P-34120765 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-13222448 | Specs | Screening Compounds | 90 | As is | 3 mg |
P-22704758 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-25735087 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 12 mg |
P-894003199 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 387.411 |
logP | 3.1372 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 118.78 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 100.33 |
Atoms | 44 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 17 |
Heteroatoms | 9 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |