MCULE-4830644797
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 97 USD | 90 | 17 working days | Get Quote |
10 mg | 148 USD | 90 | 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-4830644797.sdf |
SMILES | MCULE-4830644797.smiles |
Standard InChI | MCULE-4830644797.inchi |
InChIKey | MCULE-4830644797.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886654969 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889950103 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-608155420 | Alinda | Building Blocks | 95 | As is | in stock |
P-851550574 | AmBeed | On request | N/A | As is | by synthesis |
P-596499330 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596474311 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590819975 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-584500558 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-619926719 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-14897415 | ChemDiv | Discovery Chemistry Library | 90 | As is | 65 mg |
P-887195959 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580396194 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-454343580 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
P-579621984 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-852380178 | Matrix Scientific | All | N/A | As is | in stock |
P-895558902 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-856066482 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 14.3 g |
P-453943564 | Specs | Screening Compounds | 90 | As is | 16 mg |
P-502334437 | TimTec | Building Block Collection | 90 | As is | in stock |
P-893728251 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 190.198 |
logP | 1.511 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 52.3808 |
Atoms | 24 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
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 |