MCULE-1371378069-1
- 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 | 33 USD | 90 | 19 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-1371378069-1.sdf |
SMILES | MCULE-1371378069-1.smiles |
Standard InChI | MCULE-1371378069-1.inchi |
InChIKey | MCULE-1371378069-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-613849535 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19961485 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436455334 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851563955 | AmBeed | On request | N/A | As is | by synthesis |
P-563011080 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454704147 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-862038336 | FluoroChem | General BB | 95 | As is | in stock |
P-596591182 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-23916762 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885526196 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-3236543 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 959 mg |
P-1377331 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 959 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 221.303 |
logP | 2.0223 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 93.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 66.764 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 7 |
Heteroatoms | 4 |
N/O atoms | 2 |
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 |