MCULE-6974191775
- 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 | 6 USD | 97 | 20 working days | Get Quote |
5 mg | 6 USD | 97 | 20 working days | Get Quote |
10 mg | 6 USD | 97 | 20 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-6974191775.sdf |
SMILES | MCULE-6974191775.smiles |
Standard InChI | MCULE-6974191775.inchi |
InChIKey | MCULE-6974191775.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867587684 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875746995 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-535625581 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505388732 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-580238076 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606916669 | AmBeed | In stock | N/A | As is | in stock |
P-489114644 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596931694 | Angene | Building Blocks in stock | 97 | As is | 2.5 kg |
P-494347050 | Apollo Scientific | In Stock | 95 | As is | 193.2 g |
P-864126646 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580732695 | BLD pharm | In-stock building blocks | 97 | As is | 140 g |
P-893234368 | Biosynth | In Stock | 95 | As is | in stock |
P-851280914 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868560361 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580432629 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861980350 | FluoroChem | General BB | N/A | As is | in stock |
P-505524926 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-454377740 | Key Organics | Building Blocks | 95 | As is | 75.468 g |
P-18791400 | Key Organics | Screening Compounds and Fragments | 95 | As is | 75.468 g |
P-579616592 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-852412377 | Matrix Scientific | All | N/A | As is | in stock |
P-854726413 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-500403708 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885539114 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596785097 | Synthonix | In-stock Building Blocks | 95 | As is | 6.89444 kg |
P-502361783 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611435675 | Toronto Research | In stock | 90 | As is | in stock |
P-480890841 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 195.172 |
logP | 2.213 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 72.12 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 51.5095 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 9 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |