Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4122662001-0
Structure
Show compound
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 | 99 | 22 working days | Get Quote |
| 5 mg | 6 USD | 99 | 22 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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.
-
1
MCULE-6282304706-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4122662001-0.sdf |
| SMILES | MCULE-4122662001-0.smiles |
| Standard InChI | MCULE-4122662001-0.inchi |
| InChIKey | MCULE-4122662001-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867595596 | 99 | As is | in stock |
| P-875754407 | N/A | As is | in stock |
| P-535626844 | 95 | As is | in stock |
| P-505389204 | 98 | As is | in stock |
| P-505391090 | 98 | As is | in stock |
| P-903087858 | 99 | As is | 3.5 kg |
| P-606866262 | N/A | As is | in stock |
| P-596957980 | 99 | As is | 50 kg |
| P-605394363 | 95 | As is | by resynthesis (? - ? days) |
| P-864138551 | 98 | As is | in stock |
| P-860056209 | 98 | As is | by synthesis |
| P-868544891 | 99 | As is | in stock |
| P-580699261 | 99 | As is | 657.6 g |
| P-871220386 | N/A | As is | by resynthesis (? - ? days) |
| P-893219127 | 95 | As is | in stock |
| P-893231320 | 95 | As is | in stock |
| P-505575252 | 98 | As is | in stock |
| P-617651415 | 90 | As is | in stock |
| P-617326161 | 90 | As is | in stock |
| P-868595133 | 98 | As is | in stock |
| P-580759891 | 90 | As is | in stock |
| P-579477087 | 95 | As is | in stock |
| P-889114473 | 95 | As is | 10.5 g |
| P-870663032 | 98 | As is | in stock |
| P-524444389 | 97 | As is | unavailable |
| P-852444593 | N/A | As is | in stock |
| P-854719353 | 95 | As is | in stock |
| P-901018703 | 95 | As is | in stock |
| P-584619728 | 95 | As is | in stock |
| P-608276877 | 98 | As is | in stock |
| P-500371906 | 98 | As is | by synthesis |
| P-675127911 | 90 | As is | in stock |
| P-579711849 | N/A | As is | in stock |
| P-869108192 | 95 | As is | by synthesis |
| P-892286883 | 95 | As is | 798 mg |
| P-888627231 | 95 | As is | 798 mg |
| P-906778706 | 99 | As is | by synthesis |
| P-611452507 | 90 | As is | in stock |
| P-617793116 | 90 | As is | 47 mg |
| P-667016586 | 95 | As is | in stock |
| P-875845806 | N/A | Main component | in stock |
| P-615724583 | 98 | Main component | in stock |
| P-903216429 | 98 | Main component | 1000 g |
| P-905493552 | 98 | Main component | 10 g |
| P-851934972 | N/A | Main component | in stock |
| P-619133430 | 98 | Main component | 1000 g |
| P-895929672 | 95 | Main component | by resynthesis (? - ? days) |
| P-864187977 | 95 | Main component | in stock |
| P-608390630 | 98 | Main component | 537.5 g |
| P-871219986 | N/A | Main component | by resynthesis (? - ? days) |
| P-901479932 | 95 | Main component | by synthesis |
| P-868568706 | 98 | Main component | in stock |
| P-868658360 | 95 | Main component | in stock |
| P-905359714 | 95 | Main component | in stock |
| P-889436142 | 95 | Main component | 1.18689 kg |
| P-502586408 | 95 | Main component | by synthesis |
| P-856008982 | 97 | Main component | 895 mg |
| P-601069813 | 90 | Main component | 1.428 g |
| P-1263157429 | 95 | Main component | by synthesis |
| P-867943594 | 95 | Main component | in stock |
| P-871069999 | 95 | Main component | in stock |
| P-878643889 | 98 | Main component | in stock |
| P-869164416 | 95 | Main component | by synthesis |
| P-892300402 | 95 | Main component | 998 mg |
| P-888659592 | 95 | Main component | 998 mg |
| P-502335845 | 90 | Main component | in stock |
| P-906758339 | 99 | Main component | by synthesis |
| P-611452506 | 90 | Main component | in stock |
| P-893945378 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 433.951 |
| logP | 4.284 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 131.37 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 112.7941 |
| Atoms | 56 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 28 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
