MCULE-2969073297-0
- 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 | 10 working days | Get Quote |
5 mg | 35 USD | 95 | 10 working days | Get Quote |
10 mg | 35 USD | 95 | 10 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-2969073297-0.sdf |
SMILES | MCULE-2969073297-0.smiles |
Standard InChI | MCULE-2969073297-0.inchi |
InChIKey | MCULE-2969073297-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867599401 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875757044 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851592500 | AmBeed | On request | N/A | As is | by synthesis |
P-611203965 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492254318 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-27990249 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-861375666 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-855946913 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-869013651 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611588935 | Toronto Research | In stock | 90 | As is | in stock |
P-588722717 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-893677670 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 192.257 |
logP | 2.97 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 59.7391 |
Atoms | 30 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
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 |