Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8414492991
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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-8414492991.sdf |
| SMILES | MCULE-8414492991.smiles |
| Standard InChI | MCULE-8414492991.inchi |
| InChIKey | MCULE-8414492991.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563256 | 98 | As is | in stock |
| P-875722822 | N/A | As is | in stock |
| P-869185020 | 97 | As is | in stock |
| P-505390517 | 99 | As is | in stock |
| P-903052219 | 98 | As is | 300 g |
| P-905476887 | 98 | As is | 100 g |
| P-580237212 | 95 | As is | by synthesis |
| P-606919757 | N/A | As is | in stock |
| P-489188252 | 97 | As is | in stock |
| P-596945975 | 98 | As is | 200 g |
| P-866721803 | 95 | As is | by resynthesis (? - ? days) |
| P-595592104 | 90 | As is | 1000 mg |
| P-864093324 | 96 | As is | in stock |
| P-481169721 | 95 | As is | 844 g |
| P-580714876 | 98 | As is | 2.585 kg |
| P-893235584 | 95 | As is | in stock |
| P-454644564 | 90 | As is | in stock |
| P-851257268 | 95 | As is | by synthesis |
| P-868640544 | 98 | As is | in stock |
| P-580421959 | 95 | As is | by resynthesis (? - ? days) |
| P-579802930 | 90 | As is | in stock |
| P-864497559 | 90 | As is | in stock |
| P-904200623 | 95 | As is | 3.22 g |
| P-905335811 | 97 | As is | 584 g |
| P-861980266 | 97 | As is | 584 g |
| P-870656690 | 98 | As is | in stock |
| P-579489031 | 90 | As is | 43.3 g |
| P-890206175 | 90 | As is | 43.3 g |
| P-505491190 | 95 | As is | in stock |
| P-504608767 | 90 | As is | by synthesis |
| P-492217530 | 95 | As is | in stock |
| P-502945957 | 90 | As is | in stock |
| P-488549357 | 90 | As is | in stock |
| P-13732649 | 95 | As is | 300 mg |
| P-454329102 | 95 | As is | 245 mg |
| P-454407001 | 95 | As is | 250 g |
| P-579613638 | 98 | As is | 5 kg |
| P-31249962 | 90 | As is | unavailable |
| P-856041798 | 90 | As is | unavailable |
| P-613284568 | 95 | As is | by synthesis |
| P-613363049 | 99 | As is | 1.25 kg |
| P-852438278 | N/A | As is | in stock |
| P-904720905 | 90 | As is | in stock |
| P-902978904 | 95 | As is | in stock |
| P-608278192 | 98 | As is | in stock |
| P-492274531 | 95 | As is | 3.22 g |
| P-34007273 | 90 | As is | 3.22 g |
| P-888857755 | N/A | As is | in stock |
| P-454368100 | 92 | As is | in stock |
| P-500377926 | 98 | As is | by synthesis |
| P-1263958812 | 90 | As is | in stock |
| P-856072703 | 95 | As is | in stock |
| P-519875248 | 90 | As is | in stock |
| P-896080611 | N/A | As is | 17.981 g |
| P-498720866 | 97 | As is | 3.2705 kg |
| P-869107959 | 95 | As is | by synthesis |
| P-892286573 | 95 | As is | 1.002 g |
| P-888626990 | 95 | As is | 1.002 g |
| P-502326347 | 90 | As is | in stock |
| P-23336265 | 94 | As is | by resynthesis (? - ? days) |
| P-906780982 | 99 | As is | by synthesis |
| P-611389374 | 90 | As is | in stock |
| P-580054327 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 124.097 |
| logP | 0.1748 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 63.08 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 28.9913 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 9 |
| 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 |
