MCULE-1540543147
- 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 | 34 USD | 90 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 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-1540543147.sdf |
SMILES | MCULE-1540543147.smiles |
Standard InChI | MCULE-1540543147.inchi |
InChIKey | MCULE-1540543147.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851638741 | AmBeed | On request | N/A | As is | by synthesis |
P-872723627 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-872723628 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-611149126 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-870647774 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870647776 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-856009871 | Key Organics | Biochemicals | 95 | As is | unavailable |
P-454406644 | Key Organics | Building Blocks | 97 | As is | 11.054 g |
P-596563191 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-596547916 | Key Organics | Screening Compounds and Fragments | 97 | As is | 11.054 g |
P-856006687 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-608121547 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
P-856028912 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-18927148 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-435758 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 33 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 367.437 |
logP | 4.3666 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 66.84 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 104.4938 |
Atoms | 52 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 25 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |