Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4663484868
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 |
- 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-4663484868.sdf |
| SMILES | MCULE-4663484868.smiles |
| Standard InChI | MCULE-4663484868.inchi |
| InChIKey | MCULE-4663484868.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587873 | 98 | As is | in stock |
| P-875747593 | 98 | As is | in stock |
| P-1275145062 | 95 | As is | in stock |
| P-1275186827 | 98 | As is | in stock |
| P-903077874 | 98 | As is | 183 g |
| P-905477374 | 98 | As is | 10 g |
| P-610952937 | 90 | As is | 7.61781 kg |
| P-1270378335 | 98 | As is | in stock |
| P-580238264 | 95 | As is | by synthesis |
| P-617049036 | 95 | As is | by resynthesis (? - ? days) |
| P-606909287 | N/A | As is | in stock |
| P-596955145 | 98 | As is | 5 kg |
| P-494345486 | 95 | As is | 2 g |
| P-864089186 | 97 | As is | in stock |
| P-580733733 | 98 | As is | 626 g |
| P-893234055 | 95 | As is | in stock |
| P-454618385 | 90 | As is | in stock |
| P-1272251736 | 90 | As is | 3.9335 kg |
| P-436452590 | 95 | As is | in stock |
| P-901589571 | 95 | As is | by synthesis |
| P-861268441 | 95 | As is | in stock |
| P-868572333 | 98 | As is | in stock |
| P-580428299 | 95 | As is | by resynthesis (? - ? days) |
| P-864499482 | 95 | As is | 76.815 g |
| P-864493054 | 90 | As is | in stock |
| P-905330029 | 98 | As is | 170 g |
| P-889111180 | 98 | As is | 11.5 g |
| P-861932765 | 98 | As is | 1.20271 kg |
| P-870657331 | N/A | As is | in stock |
| P-855382115 | 90 | As is | 2.22 g |
| P-890221440 | 90 | As is | in stock |
| P-505491232 | 95 | As is | in stock |
| P-502528937 | 95 | As is | by synthesis |
| P-870579327 | 95 | As is | in stock |
| P-870568905 | 90 | As is | in stock |
| P-488549135 | 90 | As is | in stock |
| P-13690843 | 92 | As is | 300 mg |
| P-619806843 | 96 | As is | in stock |
| P-454417179 | 95 | As is | 1.09 g |
| P-454352212 | 95 | As is | 1.09 g |
| P-579612504 | 95 | As is | in stock |
| P-31179316 | 90 | As is | unavailable |
| P-580493128 | N/A | As is | by synthesis |
| P-1272565019 | 99 | As is | 2 g |
| P-852383224 | 99 | As is | by synthesis |
| P-855402431 | 95 | As is | in stock |
| P-492282012 | 95 | As is | 76.88 g |
| P-34038501 | 90 | As is | 76.88 g |
| P-888858405 | N/A | As is | in stock |
| P-454367925 | 92 | As is | in stock |
| P-13948855 | 92 | As is | 300 mg |
| P-500393477 | 98 | As is | by synthesis |
| P-868120372 | 95 | As is | in stock |
| P-23967727 | 90 | As is | in stock |
| P-579703513 | N/A | As is | in stock |
| P-613805787 | 95 | As is | in stock |
| P-498709957 | 98 | As is | 489.7 g |
| P-502358705 | 90 | As is | in stock |
| P-33715722 | 94 | As is | by resynthesis (? - ? days) |
| P-611478811 | 90 | As is | in stock |
| P-3230238 | 90 | As is | 2.061 g |
| P-1577056 | 90 | As is | 2.061 g |
| P-480946723 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.183 |
| logP | 1.9545 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 42.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.5782 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
