MCULE-6732568214-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 19 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-6732568214-0.sdf |
SMILES | MCULE-6732568214-0.smiles |
Standard InChI | MCULE-6732568214-0.inchi |
InChIKey | MCULE-6732568214-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892979619 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-4402796 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-674272064 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
P-34557481 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-492221866 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502626601 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502499575 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503102137 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12709334 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-563705355 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-31147011 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-651049700 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-12799698 | Otava | In-House Stock Library | 90 | As is | 3 g |
P-492282082 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 3 g |
P-23785387 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-18878909 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-453913165 | Specs | Screening Compounds | 90 | As is | 17 mg |
P-22728419 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502338062 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611511509 | Toronto Research | In stock | 90 | As is | in stock |
P-1854642 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 305.376 |
logP | 2.4665 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 115.0 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 86.9518 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
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 | 2 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 2 |
Undefined stereo double bonds | 0 |