Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3692050475-0
Structure
Show compound
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 | 4 USD | 95 | 10 working days | Get Quote |
| 5 mg | 4 USD | 95 | 10 working days | Get Quote |
| 10 mg | 4 USD | 95 | 10 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.
-
1
MCULE-4566777212-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3692050475-0.sdf |
| SMILES | MCULE-3692050475-0.smiles |
| Standard InChI | MCULE-3692050475-0.inchi |
| InChIKey | MCULE-3692050475-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867668974 | 95 | As is | in stock |
| P-875842914 | N/A | As is | in stock |
| P-894643558 | 95 | As is | in stock |
| P-611102934 | 95 | As is | by synthesis |
| P-616227411 | 95 | As is | in stock |
| P-4143975 | 90 | As is | 50 mg |
| P-861376981 | 95 | As is | by synthesis |
| P-855950136 | 95 | As is | 1000 mg |
| P-854936394 | 95 | As is | by synthesis |
| P-611387692 | 90 | As is | in stock |
| P-617714512 | 90 | As is | 1.01 g |
| P-617768669 | 90 | As is | 1.01 g |
| P-893678988 | 95 | As is | by synthesis |
| P-867576024 | 97 | Main component | in stock |
| P-875736274 | N/A | Main component | in stock |
| P-535627862 | 95 | Main component | in stock |
| P-505351778 | 98 | Main component | in stock |
| P-903065778 | 97 | Main component | 900 g |
| P-893464783 | 90 | Main component | 2.61298 kg |
| P-580200226 | 95 | Main component | 75 g |
| P-606938228 | N/A | Main component | in stock |
| P-489163449 | 97 | Main component | in stock |
| P-596951112 | 97 | Main component | 800 g |
| P-494348773 | 95 | Main component | 106 g |
| P-864084839 | 97 | Main component | in stock |
| P-580735211 | 97 | Main component | 190 g |
| P-901450851 | 95 | Main component | by synthesis |
| P-577095643 | 97 | Main component | in stock |
| P-851240246 | 95 | Main component | by synthesis |
| P-861270893 | 95 | Main component | in stock |
| P-868560003 | 98 | Main component | in stock |
| P-580279415 | 95 | Main component | by resynthesis (? - ? days) |
| P-901365328 | 98 | Main component | 16.5 g |
| P-861968782 | 98 | Main component | 1.52337 kg |
| P-905333716 | 98 | Main component | 130 g |
| P-588281604 | 98 | Main component | in stock |
| P-870655747 | N/A | Main component | in stock |
| P-505519258 | 95 | Main component | in stock |
| P-502450401 | 95 | Main component | by synthesis |
| P-502744936 | 90 | Main component | in stock |
| P-488549183 | 90 | Main component | in stock |
| P-13704981 | 92 | Main component | 300 mg |
| P-454295816 | 95 | Main component | 9.996 g |
| P-454390949 | 95 | Main component | 500 g |
| P-580516906 | 97 | Main component | 240 g |
| P-852384959 | N/A | Main component | in stock |
| P-428002895 | 90 | Main component | 3.7 kg |
| P-854722959 | 95 | Main component | in stock |
| P-617692190 | 95 | Main component | 278 mg |
| P-424113955 | 90 | Main component | 278 mg |
| P-888858176 | N/A | Main component | in stock |
| P-454371576 | 92 | Main component | in stock |
| P-445309775 | 92 | Main component | 300 mg |
| P-500400384 | 98 | Main component | by synthesis |
| P-885516747 | 95 | Main component | by synthesis |
| P-579705673 | N/A | Main component | in stock |
| P-896073221 | N/A | Main component | 49.876 g |
| P-613814603 | 95 | Main component | in stock |
| P-498659594 | 97 | Main component | 782 g |
| P-23215377 | 90 | Main component | in stock |
| P-502361091 | 90 | Main component | in stock |
| P-907268105 | 94 | Main component | by resynthesis (? - ? days) |
| P-906759431 | 97 | Main component | by synthesis |
| P-906890853 | 99 | Main component | by synthesis |
| P-480946511 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 174.583 |
| logP | 1.7452 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 76.21 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.5657 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
