Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2095997071
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 | 7 USD | 98 | 8 working days | Get Quote |
| 5 mg | 7 USD | 98 | 8 working days | Get Quote |
| 10 mg | 7 USD | 98 | 8 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-8718466451
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2095997071.sdf |
| SMILES | MCULE-2095997071.smiles |
| Standard InChI | MCULE-2095997071.inchi |
| InChIKey | MCULE-2095997071.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903202432 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 1.5 kg |
| P-489136260 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-860055532 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-851268160 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868577366 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-608497550 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-901366361 | FluoroChem | In Stock BB | N/A | As is | 140 g |
| P-896626915 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854716696 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584622290 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608274561 | Molnova | Stock | 98 | As is | in stock |
| P-579710311 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-903050946 | Aaron Chemicals LLC | Predominantly Building Block | 99 | Main component | 17.5 kg |
| P-589653521 | Apollo Scientific | In Stock | 95 | Main component | 15 g |
| P-580705319 | BLD pharm | In-stock building blocks | 98 | Main component | 3.5851 kg |
| P-900268134 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
| P-868580232 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-896534305 | FluoroChem | In Stock BB | N/A | Main component | 100 g |
| P-901144955 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-579611989 | LabSeeker, Inc | Stock Collection | 99 | Main component | in stock |
| P-852444608 | Matrix Scientific | All | N/A | Main component | in stock |
| P-895217877 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-854720005 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-474025182 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608274244 | Molnova | Stock | 98 | Main component | in stock |
| P-617402653 | Selleck Biotechnology GmbH | Product Catalog | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 252.240 |
| logP | 1.7018 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 49.36 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.8495 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
