Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2186684249-0
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 | 12 USD | 98 | 15 working days | Get Quote |
| 5 mg | 12 USD | 98 | 15 working days | Get Quote |
| 10 mg | 21 USD | 98 | 15 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-2186684249-0.sdf |
| SMILES | MCULE-2186684249-0.smiles |
| Standard InChI | MCULE-2186684249-0.inchi |
| InChIKey | MCULE-2186684249-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867624741 | 98 | As is | in stock |
| P-875787906 | 98 | As is | in stock |
| P-869341446 | 95 | As is | by resynthesis (? - ? days) |
| P-903137198 | 98 | As is | 200 mg |
| P-893576757 | 90 | As is | 400 mg |
| P-1270305955 | 98 | As is | in stock |
| P-606854058 | N/A | As is | in stock |
| P-865918240 | 98 | As is | 200 mg |
| P-1273267196 | 95 | As is | by resynthesis (? - ? days) |
| P-1273297291 | 95 | As is | by resynthesis (? - ? days) |
| P-615697211 | 98 | As is | 209 mg |
| P-901426733 | 95 | As is | by synthesis |
| P-887162473 | 95 | As is | by synthesis |
| P-905432632 | 98 | As is | 200 mg |
| P-675217593 | 95 | As is | in stock |
| P-1273110084 | 97 | As is | 100 mg |
| P-1275598733 | 95 | As is | by synthesis |
| P-863724402 | 95 | As is | in stock |
| P-584623077 | 95 | As is | in stock |
| P-878642486 | 98 | As is | in stock |
| P-892299757 | 95 | As is | unavailable |
| P-869163568 | 95 | As is | 151 mg |
| P-888658912 | 95 | As is | 151 mg |
| P-906819876 | 98 | As is | by synthesis |
| P-855066520 | 90 | As is | in stock |
| P-1271706859 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.389 |
| logP | 3.7193 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 54.88 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 89.4932 |
| Atoms | 44 |
| Rings | 5 |
| Heavy atoms | 23 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
