Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5802008699
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 | 19 USD | 98 | 22 working days | Get Quote |
| 5 mg | 31 USD | 98 | 16 working days | Get Quote |
| 10 mg | 49 USD | 98 | 16 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-5802008699.sdf |
| SMILES | MCULE-5802008699.smiles |
| Standard InChI | MCULE-5802008699.inchi |
| InChIKey | MCULE-5802008699.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867544290 | 98 | As is | in stock |
| P-875700999 | N/A | As is | in stock |
| P-590358713 | 98 | As is | in stock |
| P-903025504 | 98 | As is | 500 mg |
| P-1264052323 | 95 | As is | in stock |
| P-610963011 | 90 | As is | 10.227 g |
| P-606874547 | N/A | As is | in stock |
| P-489117138 | 97 | As is | in stock |
| P-596926416 | 98 | As is | 500 mg |
| P-872722630 | 98 | As is | in stock |
| P-864133737 | 95 | As is | in stock |
| P-580697952 | 98 | As is | 1.299 g |
| P-851250661 | 95 | As is | by synthesis |
| P-580450175 | 99 | As is | in stock |
| P-861511880 | 95 | As is | by synthesis |
| P-579479823 | 95 | As is | in stock |
| P-870652269 | N/A | As is | in stock |
| P-596583331 | 97 | As is | 100 mg |
| P-852523646 | N/A | As is | in stock |
| P-1263153658 | 95 | As is | by synthesis |
| P-854720751 | 95 | As is | in stock |
| P-474021938 | 95 | As is | in stock |
| P-619673657 | 98 | As is | in stock |
| P-885543882 | 95 | As is | by synthesis |
| P-579712934 | N/A | As is | in stock |
| P-851361539 | 98 | As is | 7.15 g |
| P-594275513 | 95 | As is | by synthesis |
| P-869178264 | 95 | As is | in stock |
| P-892298376 | 95 | As is | unavailable |
| P-892348470 | 95 | As is | 129 mg |
| P-596714760 | 90 | As is | 15 mg |
| P-906759841 | 98 | As is | by synthesis |
| P-611463019 | 90 | As is | in stock |
| P-667018886 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 376.900 |
| logP | 3.9454 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 87.82 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 109.2417 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| 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 |
