Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5149952560-0
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 | 6 USD | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 USD | N/A | 9 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-9775733982-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5149952560-0.sdf |
| SMILES | MCULE-5149952560-0.smiles |
| Standard InChI | MCULE-5149952560-0.inchi |
| InChIKey | MCULE-5149952560-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675076681 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-617754604 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 198 mg |
| P-867565007 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875724632 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-881672024 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-505391018 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-606875070 | AmBeed | In stock | N/A | Main component | in stock |
| P-596928853 | Angene | Building Blocks in stock | 95 | Main component | 2.03 kg |
| P-494345259 | Apollo Scientific | In Stock | 95 | Main component | 170.5 g |
| P-864110329 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-580702416 | BLD pharm | In-stock building blocks | 98 | Main component | 770 g |
| P-893251682 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-878239788 | CHESS Chem | All products | 98 | Main component | in stock |
| P-4376014 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 100 mg |
| P-851250268 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868642181 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-34654527 | Crea-Chim | HTS compounds | 90 | Main component | unavailable |
| P-580429683 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-889110509 | FluoroChem | In Stock BB | 99 | Main component | 62 g |
| P-505530665 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-504609021 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-454416550 | Key Organics | Building Blocks | 95 | Main component | 385 mg |
| P-454350242 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 385 mg |
| P-579612062 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-856015067 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-856043635 | LaboTest | Building Blocks | 90 | Main component | unavailable |
| P-580495569 | Manchester Organics | Compounds on demand | 97 | Main component | by synthesis |
| P-852452250 | Matrix Scientific | All | N/A | Main component | in stock |
| P-428049759 | Maybridge | Screening Collection | 95 | Main component | 3.043 kg |
| P-854728370 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
| P-888865775 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-500390182 | Pi Chemicals | Virtual Compounds | N/A | Main component | by synthesis |
| P-500371505 | Pi Chemicals | Virtual Compounds | 99 | Main component | by synthesis |
| P-491352989 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-596767569 | Synthonix | In-stock Building Blocks | 95 | Main component | 1.84 kg |
| P-22822840 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502362074 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611457398 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893893485 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 337.367 |
| logP | 1.5552 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 104.14 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 91.1176 |
| Atoms | 47 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 23 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
