Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6201902108
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 | 24 USD | 98 | 22 working days | Get Quote |
| 5 mg | 47 USD | 98 | 22 working days | Get Quote |
| 10 mg | 72 USD | 98 | 22 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.
-
MCULE-2487590368
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6201902108.sdf |
| SMILES | MCULE-6201902108.smiles |
| Standard InChI | MCULE-6201902108.inchi |
| InChIKey | MCULE-6201902108.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679800 | 98 | As is | in stock |
| P-892786639 | 95 | As is | by resynthesis (? - ? days) |
| P-610989836 | 90 | As is | 1.85 g |
| P-606868877 | N/A | As is | in stock |
| P-865932117 | 99 | As is | 100 mg |
| P-1273474490 | 95 | As is | by resynthesis (? - ? days) |
| P-904961970 | 98 | As is | in stock |
| P-901520537 | 95 | As is | by synthesis |
| P-860800315 | 98 | As is | in stock |
| P-579481458 | 95 | As is | in stock |
| P-675215808 | 95 | As is | in stock |
| P-855924143 | 97 | As is | 100 mg |
| P-1279073096 | N/A | As is | by synthesis |
| P-579713126 | 98 | As is | in stock |
| P-1271285299 | 98 | As is | by synthesis |
| P-1266084323 | 95 | As a main component | in stock |
| P-1266084330 | 98 | As a main component | in stock |
| P-892787505 | 95 | As a main component | by resynthesis (? - ? days) |
| P-505394206 | 95 | As a main component | by resynthesis (? - ? days) |
| P-610973981 | 90 | As a main component | 679 mg |
| P-1270321130 | 98 | As a main component | in stock |
| P-867726113 | N/A | As a main component | by synthesis |
| P-851778037 | N/A | As a main component | by synthesis |
| P-1274621316 | N/A | As a main component | 100 mg |
| P-1273404845 | 95 | As a main component | by resynthesis (? - ? days) |
| P-872697223 | 95 | As a main component | in stock |
| P-901520539 | 95 | As a main component | by synthesis |
| P-868079535 | 95 | As a main component | in stock |
| P-524166466 | 95 | As a main component | 1 mg |
| P-608270961 | 98 | As a main component | in stock |
| P-855321701 | 90 | As a main component | in stock |
| P-1279274951 | 95 | As a main component | by synthesis |
| P-868503760 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 438.501 |
| logP | 2.5488 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 120.04 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 128.9294 |
| Atoms | 53 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 22 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
