MCULE-7481108519-0
- 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 | 68 USD | 95 | 10 working days | Get Quote |
5 mg | 84 USD | 95 | 10 working days | Get Quote |
10 mg | 116 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-7481108519-0.sdf |
SMILES | MCULE-7481108519-0.smiles |
Standard InChI | MCULE-7481108519-0.inchi |
InChIKey | MCULE-7481108519-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886608148 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890156806 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613855358 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851603223 | AmBeed | On request | N/A | As is | by synthesis |
P-494308540 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-611182502 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-454409467 | Key Organics | Building Blocks | 95 | As is | 20.197 g |
P-18798770 | Key Organics | Screening Compounds and Fragments | 95 | As is | 20.197 g |
P-852413560 | Matrix Scientific | All | N/A | As is | in stock |
P-500377618 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-855228306 | Toronto Research | In stock | 90 | As is | in stock |
P-893821473 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 267.252 |
logP | 0.512 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 66.84 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 67.7733 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |