MCULE-6407567734-0
- 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 | 47 USD | 90 | 21 working days | Get Quote |
5 mg | 47 USD | 90 | 21 working days | Get Quote |
10 mg | 47 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-6407567734-0.sdf |
SMILES | MCULE-6407567734-0.smiles |
Standard InChI | MCULE-6407567734-0.inchi |
InChIKey | MCULE-6407567734-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852123062 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-875837522 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851873623 | AmBeed | On request | N/A | As is | by synthesis |
P-494334194 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-591150113 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-890223817 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-890203424 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-454377659 | Key Organics | Building Blocks | 95 | As is | 5.401 g |
P-18696929 | Key Organics | Screening Compounds and Fragments | 95 | As is | 5.401 g |
P-852412555 | Matrix Scientific | All | N/A | As is | in stock |
P-869019195 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-856066841 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 26 g |
P-34211723 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502399937 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611598512 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 208.171 |
logP | 0.3938 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 88.52 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 52.4795 |
Atoms | 23 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 8 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |