Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3112669573
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 | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 working days | Get Quote |
- 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-3112669573.sdf |
| SMILES | MCULE-3112669573.smiles |
| Standard InChI | MCULE-3112669573.inchi |
| InChIKey | MCULE-3112669573.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661405 | 98 | As is | in stock |
| P-875830323 | 98 | As is | in stock |
| P-1275180600 | 98 | As is | in stock |
| P-1275179578 | 98 | As is | in stock |
| P-1275144848 | 95 | As is | in stock |
| P-580194841 | 98 | As is | in stock |
| P-1264048694 | 95 | As is | in stock |
| P-1270307123 | 98 | As is | in stock |
| P-580241083 | 95 | As is | by synthesis |
| P-606945717 | N/A | As is | in stock |
| P-489178114 | 97 | As is | in stock |
| P-596972711 | 98 | As is | 2.5 kg |
| P-1273453838 | 95 | As is | by resynthesis (? - ? days) |
| P-1274792567 | 95 | As is | 5 g |
| P-864140518 | 95 | As is | in stock |
| P-860056055 | 98 | As is | by synthesis |
| P-580721176 | 98 | As is | 590 g |
| P-893227502 | 95 | As is | in stock |
| P-901519482 | 95 | As is | by synthesis |
| P-851278232 | 95 | As is | by synthesis |
| P-580450256 | 99 | As is | in stock |
| P-868592870 | 98 | As is | in stock |
| P-579476475 | 95 | As is | in stock |
| P-861988243 | 95 | As is | 300 g |
| P-889114536 | 95 | As is | 10 g |
| P-870662950 | 98 | As is | in stock |
| P-505508331 | 95 | As is | in stock |
| P-675214540 | 95 | As is | in stock |
| P-488555545 | 92 | As is | in stock |
| P-488549089 | 90 | As is | in stock |
| P-524440151 | 97 | As is | 10.366 g |
| P-31164818 | 90 | As is | 250 mg |
| P-852445109 | N/A | As is | by synthesis |
| P-1272582208 | N/A | As is | in stock |
| P-854719201 | 95 | As is | in stock |
| P-1275597208 | 95 | As is | in stock |
| P-474023002 | 95 | As is | in stock |
| P-608276062 | 98 | As is | in stock |
| P-881190637 | 90 | As is | 3 g |
| P-454371546 | 92 | As is | in stock |
| P-500395929 | 98 | As is | by synthesis |
| P-1263955950 | 90 | As is | in stock |
| P-885528713 | 95 | As is | by synthesis |
| P-520169153 | 90 | As is | in stock |
| P-579710509 | 98 | As is | in stock |
| P-892289380 | 95 | As is | unavailable |
| P-869120165 | 95 | As is | 147 mg |
| P-888634987 | 95 | As is | 147 mg |
| P-33163208 | 90 | As is | 995 mg |
| P-906775172 | 98 | As is | by synthesis |
| P-611529752 | 90 | As is | in stock |
| P-611397247 | 90 | As is | in stock |
| P-35145796 | 90 | As is | 117 mg |
| P-1271666722 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 504.626 |
| logP | 0.1124 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 12 |
| PSA | 145.44 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 146.3152 |
| Atoms | 76 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 40 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
