Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3846278313-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-3846278313-0.sdf |
| SMILES | MCULE-3846278313-0.smiles |
| Standard InChI | MCULE-3846278313-0.inchi |
| InChIKey | MCULE-3846278313-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867635133 | 98 | As is | in stock |
| P-875800192 | N/A | As is | in stock |
| P-869315370 | 95 | As is | in stock |
| P-903155876 | 95 | As is | 2.5 g |
| P-904309454 | 90 | As is | 514 mg |
| P-851479781 | N/A | As is | by synthesis |
| P-895942171 | 95 | As is | by resynthesis (? - ? days) |
| P-590780431 | 95 | As is | by synthesis |
| P-492254244 | 95 | As is | in stock |
| P-577176271 | 90 | As is | by synthesis |
| P-868648271 | 98 | As is | in stock |
| P-862040109 | 98 | As is | 1000 mg |
| P-579523594 | 90 | As is | 1 mg |
| P-890212393 | 90 | As is | 1 mg |
| P-502484087 | 95 | As is | by synthesis |
| P-890852530 | 90 | As is | in stock |
| P-488549296 | 90 | As is | in stock |
| P-13685023 | 95 | As is | 300 mg |
| P-524175809 | 95 | As is | unavailable |
| P-874450595 | 95 | As is | in stock |
| P-888841360 | N/A | As is | by synthesis |
| P-454368057 | 92 | As is | in stock |
| P-13825622 | 92 | As is | 300 mg |
| P-885518414 | 95 | As is | by synthesis |
| P-520013788 | 90 | As is | in stock |
| P-906881278 | 98 | As is | by synthesis |
| P-2055984 | 90 | As is | 1.013 g |
| P-3227711 | 90 | As is | 1.013 g |
| P-893663763 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.172 |
| logP | 1.7506 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 59.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 46.723 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
