Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2799408397
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 | 14 USD | 95 | 11 working days | Get Quote |
| 5 mg | 14 USD | 95 | 11 working days | Get Quote |
| 10 mg | 14 USD | 95 | 11 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-2799408397.sdf |
| SMILES | MCULE-2799408397.smiles |
| Standard InChI | MCULE-2799408397.inchi |
| InChIKey | MCULE-2799408397.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867580024 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875739938 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590367248 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-19884310 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606945341 | AmBeed | In stock | N/A | As is | in stock |
| P-489232857 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596952489 | Angene | Building Blocks in stock | 97 | As is | 25 g |
| P-494436353 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864111001 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-3700149 | ChemDiv | Discovery Chemistry Library | 90 | As is | 12 mg |
| P-868646892 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34825479 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580276943 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862056423 | FluoroChem | General BB | N/A | As is | in stock |
| P-502528212 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-563388211 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-579637580 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-31212822 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-35288511 | Maybridge | Screening Collection | 90 | As is | 662 g |
| P-854792668 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500401759 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-18960614 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889884923 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22852504 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502339475 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888493434 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611490319 | Toronto Research | In stock | 90 | As is | in stock |
| P-3245940 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 247 mg |
| P-615392268 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.229 |
| logP | 2.08358 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 78.34 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.4267 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
