MCULE-2314523086
- 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 | 14 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-2314523086.sdf |
SMILES | MCULE-2314523086.smiles |
Standard InChI | MCULE-2314523086.inchi |
InChIKey | MCULE-2314523086.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852083638 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889913134 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-613856078 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436452904 | Alinda | Building Blocks | 95 | As is | 25 g |
P-851555512 | AmBeed | On request | N/A | As is | by synthesis |
P-590804842 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454631111 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-449699869 | ChemDiv | New Chemistry Library | 90 | As is | 1 mg |
P-861522756 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862063495 | FluoroChem | General BB | N/A | As is | in stock |
P-855971791 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-579675737 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-852406831 | Matrix Scientific | All | N/A | As is | in stock |
P-854885528 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-855360612 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 271.310 |
logP | 3.4404 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 72.55 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 76.4802 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 17 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |