MCULE-9490157943
- 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 | 18 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-9490157943.sdf |
SMILES | MCULE-9490157943.smiles |
Standard InChI | MCULE-9490157943.inchi |
InChIKey | MCULE-9490157943.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867544199 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875701352 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-887313223 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-489212279 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-869808209 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-864271237 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-901508031 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-492251569 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-874569712 | ChemDiv | Discovery Chemistry Library | 90 | As is | 0 mg |
P-145189 | Chemical Block | Screening Library | 90 | As is | 367 mg |
P-34680205 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502535889 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-488554763 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-427875519 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-855946347 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852385686 | Matrix Scientific | All | N/A | As is | in stock |
P-852553129 | Matrix Scientific | All | N/A | As is | in stock |
P-864654235 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-24032524 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502349138 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22482571 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 49 mg |
P-611376754 | Toronto Research | In stock | 90 | As is | in stock |
P-1849978 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
P-886917114 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 190.159 |
logP | 0.5649 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 91.76 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 46.573 |
Atoms | 20 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 6 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |