MCULE-9796019917
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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-9796019917.sdf |
SMILES | MCULE-9796019917.smiles |
Standard InChI | MCULE-9796019917.inchi |
InChIKey | MCULE-9796019917.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886622222 | A2B Chem | Predominantly Building Block in stock | 91 | As is | in stock |
P-889931520 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-615730015 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851871173 | AmBeed | On request | N/A | As is | by synthesis |
P-489115034 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-889810409 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591020481 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454688707 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15156784 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-436444641 | Chemical Block | Building Blocks | 90 | As is | 28 g |
P-350493 | Chemical Block | Screening Library | 90 | As is | 207 mg |
P-34732387 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-852433590 | Matrix Scientific | All | N/A | As is | in stock |
P-895527256 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-24066967 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33450570 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502341309 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888220436 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
P-855355486 | Toronto Research | In stock | 90 | As is | in stock |
P-1847584 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 133 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 147.177 |
logP | 0.1958 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 37.28 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 50.4307 |
Atoms | 20 |
Rings | 2 |
Heavy atoms | 11 |
Hydrogen atoms | 9 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |