MCULE-8113735580-1
- 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 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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.
-
MCULE-7345937172-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8113735580-1.sdf |
SMILES | MCULE-8113735580-1.smiles |
Standard InChI | MCULE-8113735580-1.inchi |
InChIKey | MCULE-8113735580-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867406576 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-894627547 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851753161 | AmBeed | On request | N/A | As a main component | by synthesis |
P-616198080 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-454761316 | ChemDiv | Building Blocks in stock | 90 | As a main component | in stock |
P-619313495 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 10 mg |
P-34572287 | Crea-Chim | HTS compounds | 90 | As a main component | by resynthesis (? - ? days) |
P-617636032 | Crea-Chim | Building Blocks | 95 | As a main component | by resynthesis (? - ? days) |
P-861290543 | Crea-Chim | HTS compounds | 90 | As a main component | by resynthesis (? - ? days) |
P-617636089 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As a main component | in stock |
P-861944746 | FluoroChem | General BB | N/A | As a main component | in stock |
P-864037463 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-675092489 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-34145606 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-33468345 | TimTec | ActiMol 3 Week | 90 | As a main component | in stock |
P-502345843 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-35044382 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 50 mg |
P-617762802 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 53 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 198.156 |
logP | -0.2995 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 103.77 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 46.5615 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 8 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |