Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2631081700
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 5 USD | 97 | 22 working days | Get Quote |
| 5 mg | 5 USD | 97 | 22 working days | Get Quote |
| 10 mg | 5 USD | 97 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-2631081700.sdf |
| SMILES | MCULE-2631081700.smiles |
| Standard InChI | MCULE-2631081700.inchi |
| InChIKey | MCULE-2631081700.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867558229 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875717916 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869193678 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-579779030 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606888957 | AmBeed | In stock | N/A | As is | in stock |
| P-489215903 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596944216 | Angene | Building Blocks in stock | 97 | As is | 3.049 kg |
| P-585298505 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864126205 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580699675 | BLD pharm | In-stock building blocks | 97 | As is | 141 g |
| P-851319011 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868560859 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580414651 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862033183 | FluoroChem | General BB | 95 | As is | in stock |
| P-454424975 | Key Organics | Building Blocks | 95 | As is | 25 g |
| P-855996882 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-579620931 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31219112 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580470558 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852496327 | Matrix Scientific | All | N/A | As is | in stock |
| P-854748197 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-885539598 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596782010 | Synthonix | In-stock Building Blocks | 97 | As is | 1.81625 kg |
| P-611432033 | Toronto Research | In stock | 90 | As is | in stock |
| P-615450107 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.200 |
| logP | 2.09 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.6535 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
