Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6812812243
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 | 3 USD | N/A | 14 working days | Get Quote |
| 5 mg | 3 USD | N/A | 14 working days | Get Quote |
| 10 mg | 3 USD | N/A | 14 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-6812812243.sdf |
| SMILES | MCULE-6812812243.smiles |
| Standard InChI | MCULE-6812812243.inchi |
| InChIKey | MCULE-6812812243.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587222 | 98 | As is | in stock |
| P-875746150 | 95 | As is | in stock |
| P-1275147324 | 98 | As is | in stock |
| P-1275174530 | 99 | As is | in stock |
| P-903076904 | N/A | As is | 1000 g |
| P-606852825 | N/A | As is | in stock |
| P-596931652 | N/A | As is | 65 kg |
| P-1273338330 | 95 | As is | by resynthesis (? - ? days) |
| P-864183742 | 95 | As is | in stock |
| P-1275015163 | 95 | As is | by synthesis |
| P-580699249 | 95 | As is | 1.025 kg |
| P-893230863 | 95 | As is | in stock |
| P-901519435 | 95 | As is | by synthesis |
| P-874568298 | 90 | As is | 47 mg |
| P-868609850 | 98 | As is | in stock |
| P-905350029 | 98 | As is | 6.9 kg |
| P-901383598 | 98 | As is | 2.323 kg |
| P-862056935 | 98 | As is | 93.2649 kg |
| P-870655309 | 98 | As is | in stock |
| P-502563202 | 95 | As is | by synthesis |
| P-488544570 | 90 | As is | in stock |
| P-13825828 | 92 | As is | 300 mg |
| P-524162016 | 99 | As is | 1.002 g |
| P-588718315 | 99 | As is | 1.002 g |
| P-613282395 | 95 | As is | by synthesis |
| P-852580400 | N/A | As is | by synthesis |
| P-1272601614 | N/A | As is | in stock |
| P-1275010569 | 95 | As is | in stock |
| P-870987900 | 90 | As is | 260 mg |
| P-454364174 | 92 | As is | in stock |
| P-864648298 | 92 | As is | 300 mg |
| P-885516285 | 95 | As is | by synthesis |
| P-605208755 | 90 | As is | in stock |
| P-890842193 | 95 | As is | in stock |
| P-596776673 | 95 | As is | 2.1937 kg |
| P-1274332128 | 95 | As is | unavailable |
| P-1274340691 | 95 | As is | 98.968 g |
| P-1274352593 | 95 | As is | 98.967 g |
| P-906773090 | 98 | As is | by synthesis |
| P-611518496 | 90 | As is | in stock |
| P-855011896 | 90 | As is | in stock |
| P-855011897 | 90 | As is | in stock |
| P-855007126 | 90 | As is | in stock |
| P-2980965 | 90 | As is | 1.1 g |
| P-1279556205 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 100.076 |
| logP | -0.5166 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 58.2 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 28.6434 |
| Atoms | 11 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
