Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1999057378
Compound
Show structures
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 20 USD | 97 | 8 working days | Get Quote |
| 10 mg | 20 USD | 97 | 8 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.
-
2
MCULE-7043542693
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1999057378.sdf |
| SMILES | MCULE-1999057378.smiles |
| Standard InChI | MCULE-1999057378.inchi |
| InChIKey | MCULE-1999057378.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867674416 | 97 | As is | in stock |
| P-875849733 | 97 | As is | in stock |
| P-615722506 | 95 | As is | by resynthesis (? - ? days) |
| P-1270292703 | 97 | As is | in stock |
| P-606852981 | N/A | As is | in stock |
| P-596974211 | 97 | As is | 25 g |
| P-864192059 | 95 | As is | in stock |
| P-590599591 | 97 | As is | 250 mg |
| P-901429698 | 95 | As is | by synthesis |
| P-619934270 | 90 | As is | by synthesis |
| P-868631169 | 97 | As is | in stock |
| P-862147423 | 99 | As is | 125 g |
| P-854103728 | 92 | As is | 300 mg |
| P-855925926 | 97 | As is | 5 g |
| P-666807375 | 90 | As is | 165 mg |
| P-852405940 | N/A | As is | by synthesis |
| P-854802635 | 95 | As is | by synthesis |
| P-674415504 | 92 | As is | 300 mg |
| P-885546379 | 95 | As is | by synthesis |
| P-617766855 | 90 | As is | 117 mg |
| P-1271713742 | 97 | As is | in stock |
| P-1275543023 | 90 | Main component | by synthesis |
| P-856053593 | 95 | Main component | by synthesis |
| P-851630903 | N/A | Main component | by synthesis |
| P-1275479584 | 95 | Main component | by synthesis |
| P-590848483 | 95 | Main component | by synthesis |
| P-901452309 | 95 | Main component | by synthesis |
| P-675062415 | 90 | Main component | in stock |
| P-851273550 | 95 | Main component | by synthesis |
| P-868602648 | 96 | Main component | in stock |
| P-881679517 | N/A | Main component | by resynthesis (? - ? days) |
| P-613362971 | 95 | Main component | in stock |
| P-891668630 | 95 | Main component | by synthesis |
| P-854795634 | 95 | Main component | by synthesis |
| P-873282549 | N/A | Main component | in stock |
| P-873219422 | 90 | Main component | in stock |
| P-23193807 | 94 | Main component | by resynthesis (? - ? days) |
| P-906897364 | 95 | Main component | by synthesis |
| P-611379979 | 90 | Main component | in stock |
| P-611496470 | 90 | Main component | in stock |
| P-867655072 | 95 | Main component as a main component | in stock |
| P-867669506 | 95 | Main component as a main component | in stock |
| P-875822984 | 95 | Main component as a main component | in stock |
| P-875843557 | 95 | Main component as a main component | in stock |
| P-904573272 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-894654732 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-613855905 | 97 | Main component as a main component | by resynthesis (? - ? days) |
| P-907313720 | 95 | Main component as a main component | by synthesis |
| P-489211231 | 97 | Main component as a main component | in stock |
| P-864228182 | 95 | Main component as a main component | by synthesis |
| P-492256555 | 95 | Main component as a main component | in stock |
| P-492262302 | 95 | Main component as a main component | in stock |
| P-861347137 | 95 | Main component as a main component | by synthesis |
| P-861482408 | 95 | Main component as a main component | by synthesis |
| P-855950697 | 95 | Main component as a main component | 1000 mg |
| P-454385150 | 95 | Main component as a main component | 761 mg |
| P-454285169 | 95 | Main component as a main component | 761 mg |
| P-852427054 | 95 | Main component as a main component | by synthesis |
| P-852500382 | 95 | Main component as a main component | by synthesis |
| P-852559094 | N/A | Main component as a main component | by synthesis |
| P-428061101 | 90 | Main component as a main component | in stock |
| P-864072618 | 95 | Main component as a main component | by synthesis |
| P-502363184 | 90 | Main component as a main component | in stock |
| P-611404562 | 90 | Main component as a main component | in stock |
| P-893663474 | 95 | Main component as a main component | by synthesis |
| P-893672392 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 396.467 |
| logP | 4.1492 |
| H-bond acceptors | 10 |
| H-bond donors | 8 |
| Rotatable bonds | 6 |
| PSA | 206.78 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 104.8512 |
| Atoms | 51 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 24 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
