Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2762767829
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 | 36 USD | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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-2762767829.sdf |
| SMILES | MCULE-2762767829.smiles |
| Standard InChI | MCULE-2762767829.inchi |
| InChIKey | MCULE-2762767829.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892863488 | 95 | As is | in stock |
| P-901271054 | N/A | As is | in stock |
| P-869347893 | 95 | As is | in stock |
| P-851867978 | N/A | As is | by synthesis |
| P-591147818 | 95 | As is | by synthesis |
| P-454718507 | 90 | As is | in stock |
| P-436458725 | 95 | As is | in stock |
| P-19948316 | 90 | As is | in stock |
| P-907302088 | 95 | As is | by synthesis |
| P-861268342 | 95 | As is | in stock |
| P-861524471 | 95 | As is | by synthesis |
| P-580758360 | 90 | As is | in stock |
| P-580436488 | 95 | As is | by resynthesis (? - ? days) |
| P-852531326 | N/A | As is | in stock |
| P-895533524 | 95 | As is | by synthesis |
| P-424878328 | 90 | As is | in stock |
| P-579697385 | N/A | As is | in stock |
| P-873221659 | 90 | As is | in stock |
| P-23348170 | 94 | As is | by resynthesis (? - ? days) |
| P-855361360 | 90 | As is | in stock |
| P-2520537 | 90 | As is | 49 mg |
| P-886956578 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 203.193 |
| logP | 2.0687 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.4525 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| 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 |
