Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3409782202-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-3409782202-0.sdf |
| SMILES | MCULE-3409782202-0.smiles |
| Standard InChI | MCULE-3409782202-0.inchi |
| InChIKey | MCULE-3409782202-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564966 | 97 | As is | in stock |
| P-875724588 | 97 | As is | in stock |
| P-1275187719 | 99 | As is | in stock |
| P-1275144605 | 98 | As is | in stock |
| P-903053696 | 98 | As is | 1000 g |
| P-901164981 | 98 | As is | in stock |
| P-606903978 | N/A | As is | in stock |
| P-596928835 | 98 | As is | 1.5 kg |
| P-1273455801 | 95 | As is | by resynthesis (? - ? days) |
| P-494331685 | 95 | As is | by resynthesis (? - ? days) |
| P-864088816 | 97 | As is | in stock |
| P-901415831 | 95 | As is | by synthesis |
| P-868613286 | 98 | As is | in stock |
| P-905327982 | 97 | As is | 122 g |
| P-861919349 | 97 | As is | 4.65848 kg |
| P-494300268 | 98 | As is | in stock |
| P-563465143 | 97 | As is | 1000 mg |
| P-563465144 | 97 | As is | 100 g |
| P-563465151 | 97 | As is | 250 mg |
| P-579617026 | 97 | As is | in stock |
| P-601092918 | 95 | As is | 929 mg |
| P-601054459 | 90 | As is | 929 mg |
| P-1272561768 | 97 | As is | 10 g |
| P-852377371 | 97 | As is | by synthesis |
| P-854694126 | 95 | As is | in stock |
| P-901840511 | 95 | As is | in stock |
| P-885538137 | 95 | As is | by synthesis |
| P-617403468 | 98 | As is | in stock |
| P-892302509 | 95 | As is | in stock |
| P-892290255 | 95 | As is | unavailable |
| P-869124004 | 95 | As is | 4.943 g |
| P-888637933 | 95 | As is | 4.943 g |
| P-502332386 | 90 | As is | in stock |
| P-855248716 | 90 | As is | in stock |
| P-1271644527 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.158 |
| logP | 1.5072 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 32.7278 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
