MCULE-1895412216-0
- 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 | 23 USD | 95 | 17 working days | Get Quote |
5 mg | 23 USD | 95 | 17 working days | Get Quote |
10 mg | 23 USD | 95 | 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-1895412216-0.sdf |
SMILES | MCULE-1895412216-0.smiles |
Standard InChI | MCULE-1895412216-0.inchi |
InChIKey | MCULE-1895412216-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892982442 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-436451071 | Alinda | Building Blocks | 95 | As is | 25 g |
P-494334837 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-454639422 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-492244271 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502674694 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502452827 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-12965204 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-454381681 | Key Organics | Building Blocks | 95 | As is | 993 mg |
P-18802915 | Key Organics | Screening Compounds and Fragments | 95 | As is | 993 mg |
P-14414259 | Life Chemicals | Screening Compounds | 90 | As is | 82.196 g |
P-468062029 | Life Chemicals | Building Blocks | 95 | As is | 82.196 g |
P-852405538 | Matrix Scientific | All | N/A | As is | in stock |
P-35163193 | Maybridge | Screening Collection | 90 | As is | 1.508 kg |
P-895333690 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18972071 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22636912 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-873219225 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888431266 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611379249 | Toronto Research | In stock | 90 | As is | in stock |
P-3243400 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 6.809 g |
Property | Value |
---|---|
Components | 1 |
Mass | 178.213 |
logP | 2.0253 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 77.72 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 46.986 |
Atoms | 18 |
Rings | 2 |
Heavy atoms | 12 |
Hydrogen atoms | 6 |
Heteroatoms | 4 |
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 |