MCULE-9947724189
- 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 | 34 USD | 90 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 USD | 90 | 17 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-9947724189.sdf |
SMILES | MCULE-9947724189.smiles |
Standard InChI | MCULE-9947724189.inchi |
InChIKey | MCULE-9947724189.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872829642 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-425218360 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851613452 | AmBeed | On request | N/A | As is | by synthesis |
P-869420217 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868544615 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-3411882 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1.535 g |
P-502600501 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502564124 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-504168650 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12651553 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-873245185 | Key Organics | Building Blocks | 97 | As is | in stock |
P-643503562 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-617683587 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 200 mg |
P-12326090 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-575514816 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-18828185 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888645694 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869138585 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-1886725 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 154 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 367.444 |
logP | 2.7077 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 133.46 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 100.4098 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 17 |
Heteroatoms | 8 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |