Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3064637495
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 | 8 USD | 95 | 22 working days | Get Quote |
| 5 mg | 8 USD | 95 | 22 working days | Get Quote |
| 10 mg | 8 USD | 95 | 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.
-
MCULE-1496469995
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3064637495.sdf |
| SMILES | MCULE-3064637495.smiles |
| Standard InChI | MCULE-3064637495.inchi |
| InChIKey | MCULE-3064637495.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867554836 | 98 | As is | in stock |
| P-875713576 | N/A | As is | in stock |
| P-590398075 | 95 | As is | in stock |
| P-903040468 | 98 | As is | 200 g |
| P-893334942 | 95 | As is | by synthesis |
| P-899957536 | N/A | As is | by synthesis |
| P-875903865 | N/A | As is | by synthesis |
| P-489190012 | 97 | As is | in stock |
| P-596942919 | 98 | As is | 200 g |
| P-494320486 | 95 | As is | 39.5 g |
| P-864098328 | 95 | As is | in stock |
| P-901913290 | 98 | As is | by synthesis |
| P-851271597 | 95 | As is | by synthesis |
| P-868579512 | 95 | As is | in stock |
| P-580271744 | 95 | As is | by resynthesis (? - ? days) |
| P-905308507 | 97 | As is | 2.6 g |
| P-505516740 | 95 | As is | in stock |
| P-588716985 | 95 | As is | 100 mg |
| P-563555384 | 95 | As is | 100 g |
| P-579653277 | 95 | As is | by resynthesis (? - ? days) |
| P-31208189 | 90 | As is | unavailable |
| P-580459829 | 97 | As is | by synthesis |
| P-852377052 | N/A | As is | in stock |
| P-500388629 | 98 | As is | by synthesis |
| P-596772179 | 97 | As is | 0 mg |
| P-502397189 | 90 | As is | in stock |
| P-906906699 | 98 | As is | in stock |
| P-611369633 | 90 | As is | in stock |
| P-615449757 | 95 | As is | in stock |
| P-902973357 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.141 |
| logP | 3.0035 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 39.0754 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
