Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4199772549
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-4199772549.sdf |
| SMILES | MCULE-4199772549.smiles |
| Standard InChI | MCULE-4199772549.inchi |
| InChIKey | MCULE-4199772549.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886656087 | 95 | As is | in stock |
| P-901287834 | N/A | As is | in stock |
| P-869273109 | 95 | As is | in stock |
| P-903217730 | 95 | As is | 10 g |
| P-893446790 | 90 | As is | 302.489 g |
| P-901661618 | N/A | As is | in stock |
| P-896028127 | 95 | As is | in stock |
| P-901918404 | 95 | As is | 3.223 g |
| P-619930377 | 90 | As is | by synthesis |
| P-3496066 | 90 | As is | 66 mg |
| P-861391838 | 95 | As is | by synthesis |
| P-580393544 | N/A | As is | by resynthesis (? - ? days) |
| P-890216364 | 90 | As is | in stock |
| P-590338796 | 90 | As is | 1000 mg |
| P-502764408 | 90 | As is | in stock |
| P-18804709 | 90 | As is | 49 mg |
| P-35202679 | 90 | As is | 14.869 kg |
| P-854869849 | 95 | As is | by synthesis |
| P-12281456 | 90 | As is | 478 mg |
| P-859993620 | 95 | As is | by synthesis |
| P-424798796 | 90 | As is | in stock |
| P-33803031 | 90 | As is | in stock |
| P-907276046 | 94 | As is | by resynthesis (? - ? days) |
| P-611582629 | 90 | As is | in stock |
| P-35102532 | 90 | As is | 426 mg |
| P-893776921 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.246 |
| logP | 2.2075 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.9807 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
