Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3682936429-0
Structure
Show compound
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 | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 USD | 95 | 14 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.
-
1
MCULE-2864158723-0
- Component type: Main
-
1
MCULE-6475627950-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3682936429-0.sdf |
| SMILES | MCULE-3682936429-0.smiles |
| Standard InChI | MCULE-3682936429-0.inchi |
| InChIKey | MCULE-3682936429-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875705052 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869190316 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505395124 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893520366 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 184.536 kg |
| P-606904930 | AmBeed | In stock | N/A | As is | in stock |
| P-489151145 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596940449 | Angene | Building Blocks in stock | 98 | As is | 75 g |
| P-895937264 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864107150 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893235580 | Biosynth | In Stock | 95 | As is | in stock |
| P-868592450 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-889111883 | FluoroChem | In Stock BB | 98 | As is | 4.132 kg |
| P-505516452 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-580093217 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
| P-454395124 | Key Organics | Building Blocks | 97 | As is | 50 g |
| P-608081412 | LabSeeker, Inc | Stock Collection | 97 | As is | in stock |
| P-856029950 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580513773 | Manchester Organics | Stock compounds | 97 | As is | 232 g |
| P-852462528 | Matrix Scientific | All | N/A | As is | in stock |
| P-854737828 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888862436 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500412194 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-613814418 | Spirochem | All | 95 | As is | in stock |
| P-596792392 | Synthonix | In-stock Building Blocks | 95 | As is | 515.65 g |
| P-611396745 | Toronto Research | In stock | 90 | As is | in stock |
| P-854647238 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 521.381 |
| logP | 5.416 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 89.73 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 127.337 |
| Atoms | 60 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 27 |
| Heteroatoms | 16 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
