Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4380608874
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-5987010449
- Component type: Main
-
1
MCULE-6872461833
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4380608874.sdf |
| SMILES | MCULE-4380608874.smiles |
| Standard InChI | MCULE-4380608874.inchi |
| InChIKey | MCULE-4380608874.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867663634 | 98 | Main component | in stock |
| P-875832441 | 98 | Main component | in stock |
| P-869191145 | 95 | Main component | in stock |
| P-903208847 | 98 | Main component | 16 kg |
| P-905476944 | 97 | Main component | 100 g |
| P-580237606 | 95 | Main component | by synthesis |
| P-606883866 | N/A | Main component | in stock |
| P-489141201 | 97 | Main component | in stock |
| P-596933860 | 98 | Main component | 16 kg |
| P-494348282 | 95 | Main component | 8.2332 kg |
| P-864108521 | 95 | Main component | in stock |
| P-580723230 | 98 | Main component | 7.1 kg |
| P-448866090 | 90 | Main component | 490 mg |
| P-578527347 | 90 | Main component | in stock |
| P-868560514 | 98 | Main component | in stock |
| P-34459730 | 90 | Main component | by synthesis |
| P-580291274 | N/A | Main component | by resynthesis (? - ? days) |
| P-861979316 | 98 | Main component | 8.372 kg |
| P-905334767 | 98 | Main component | 8.372 kg |
| P-892850048 | 98 | Main component | in stock |
| P-608219089 | 98 | Main component | in stock |
| P-890206166 | 90 | Main component | 9.99 g |
| P-579489022 | 90 | Main component | 9.99 g |
| P-505540602 | 95 | Main component | in stock |
| P-488550614 | 90 | Main component | in stock |
| P-454300421 | 95 | Main component | 96 mg |
| P-454392596 | 95 | Main component | 1000 g |
| P-856079089 | 98 | Main component | by resynthesis (? - ? days) |
| P-31241070 | 90 | Main component | unavailable |
| P-613283836 | 95 | Main component | by synthesis |
| P-580470143 | 98 | Main component | by synthesis |
| P-852381112 | N/A | Main component | in stock |
| P-35158882 | 90 | Main component | 19.704 kg |
| P-904721178 | 90 | Main component | in stock |
| P-584613791 | 95 | Main component | in stock |
| P-878645598 | 98 | Main component | in stock |
| P-12682603 | 90 | Main component | 45 g |
| P-492280288 | 95 | Main component | 45 g |
| P-454368936 | 92 | Main component | in stock |
| P-885517341 | 95 | Main component | by synthesis |
| P-34142975 | 90 | Main component | in stock |
| P-890844406 | 95 | Main component | in stock |
| P-896073987 | N/A | Main component | 24.863 g |
| P-896078124 | N/A | Main component | 7.328 g |
| P-498701488 | 98 | Main component | 79.2096 kg |
| P-869126009 | 95 | Main component | by synthesis |
| P-892290857 | 95 | Main component | 1.002 g |
| P-888639465 | 95 | Main component | 1.002 g |
| P-22660251 | 90 | Main component | in stock |
| P-502370585 | 90 | Main component | in stock |
| P-903665390 | 94 | Main component | by resynthesis (? - ? days) |
| P-906780110 | 98 | Main component | by synthesis |
| P-611376174 | 90 | Main component | in stock |
| P-3246952 | 90 | Main component | 154 mg |
| P-575326992 | 95 | Main component | in stock |
| P-504022015 | 90 | Main component as a main component | by synthesis |
| P-675477311 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 253.977 |
| logP | 0.6547 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.176 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 1 |
| 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 |
