MCULE-8215849597-0
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-8215849597-0.sdf |
SMILES | MCULE-8215849597-0.smiles |
Standard InChI | MCULE-8215849597-0.inchi |
InChIKey | MCULE-8215849597-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892978718 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-852095833 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-889924510 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-436466818 | Alinda | Building Blocks | 95 | As is | 5 g |
P-881619728 | AmBeed | On request | N/A | As is | by synthesis |
P-890227413 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-619926506 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861343389 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-492219815 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502674692 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12899052 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-855975734 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852447342 | Matrix Scientific | All | N/A | As is | in stock |
P-35209267 | Maybridge | Screening Collection | 90 | As is | 14.521 kg |
P-18963567 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502326720 | TimTec | Building Block Collection | 90 | As is | in stock |
P-875267339 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
P-611598113 | Toronto Research | In stock | 90 | As is | in stock |
P-3243397 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 341 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 207.255 |
logP | 1.769 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 89.6 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 55.5627 |
Atoms | 23 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 9 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |