Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3063431119
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 | 10 USD | 97 | 8 working days | Get Quote |
| 5 mg | 10 USD | 97 | 8 working days | Get Quote |
| 10 mg | 10 USD | 97 | 8 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-3063431119.sdf |
| SMILES | MCULE-3063431119.smiles |
| Standard InChI | MCULE-3063431119.inchi |
| InChIKey | MCULE-3063431119.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872827288 | 98 | As is | in stock |
| P-875745634 | N/A | As is | in stock |
| P-590374142 | 95 | As is | in stock |
| P-903076743 | 97 | As is | 50 g |
| P-893485735 | 90 | As is | 586.27 g |
| P-580259767 | 95 | As is | by synthesis |
| P-606870528 | N/A | As is | in stock |
| P-596954639 | 97 | As is | 200 g |
| P-494418666 | 95 | As is | by resynthesis (? - ? days) |
| P-864111394 | 97 | As is | in stock |
| P-580698874 | 97 | As is | 11 g |
| P-868648110 | 98 | As is | in stock |
| P-580401257 | 95 | As is | by resynthesis (? - ? days) |
| P-905318884 | 95 | As is | in stock |
| P-855938369 | 95 | As is | 250 mg |
| P-524187726 | 97 | As is | 25 g |
| P-615650178 | 95 | As is | in stock |
| P-579627138 | 97 | As is | 125 g |
| P-904641795 | 95 | As is | in stock |
| P-889879840 | 95 | As is | by synthesis |
| P-502372889 | 90 | As is | in stock |
| P-906867242 | 97 | As is | by synthesis |
| P-906863674 | 95 | As is | by synthesis |
| P-611457621 | 90 | As is | in stock |
| P-615452657 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.226 |
| logP | 1.6732 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.0828 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
