MCULE-5795831503
- 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 | 46 USD | 90 | 21 working days | Get Quote |
5 mg | 69 USD | 90 | 21 working days | Get Quote |
10 mg | 81 USD | 90 | 21 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-5795831503.sdf |
SMILES | MCULE-5795831503.smiles |
Standard InChI | MCULE-5795831503.inchi |
InChIKey | MCULE-5795831503.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852135824 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-875842298 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851831317 | AmBeed | On request | N/A | As is | by synthesis |
P-590997684 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-449444990 | ChemDiv | New Chemistry Library | 90 | As is | 5 mg |
P-579486401 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 32.45 g |
P-890205153 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-454419723 | Key Organics | Building Blocks | 95 | As is | 43 mg |
P-454356389 | Key Organics | Screening Compounds and Fragments | 95 | As is | 43 mg |
P-852490403 | Matrix Scientific | All | N/A | As is | in stock |
P-895386009 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-519953157 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855321754 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 246.262 |
logP | 2.7907 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 73.99 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.6347 |
Atoms | 24 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |