Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5895117860
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 | 24 USD | 92 | 18 working days | Get Quote |
| 5 mg | 38 USD | 92 | 18 working days | Get Quote |
| 10 mg | 47 USD | 92 | 18 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-5895117860.sdf |
| SMILES | MCULE-5895117860.smiles |
| Standard InChI | MCULE-5895117860.inchi |
| InChIKey | MCULE-5895117860.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886626461 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875810298 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590374932 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903170443 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 750 mg |
| P-878261190 | AmBeed | In stock | N/A | As is | in stock |
| P-881108596 | Angene | Building Blocks in stock | 95 | As is | 750 mg |
| P-596431171 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596494567 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-889539991 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-878234878 | BLD pharm | In-stock building blocks | 95 | As is | 2.725 g |
| P-427957318 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-577172321 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-901650453 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-861951425 | FluoroChem | General BB | N/A | As is | in stock |
| P-890217893 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590340326 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-502486739 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488546145 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13198871 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-454322540 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-856044547 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31185675 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852401972 | Matrix Scientific | All | N/A | As is | in stock |
| P-854849079 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454370724 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13665285 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500389249 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-424808506 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22820682 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502333999 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-903654608 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611597219 | Toronto Research | In stock | 90 | As is | in stock |
| P-3243797 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 128 mg |
| P-590884 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 128 mg |
| P-894003400 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 206.169 |
| logP | 2.7839 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.0613 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
