Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3119679537-1
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 | 10 USD | 98 | 8 working days | Get Quote |
| 5 mg | 10 USD | 98 | 8 working days | Get Quote |
| 10 mg | 10 USD | 98 | 8 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-3119679537-1.sdf |
| SMILES | MCULE-3119679537-1.smiles |
| Standard InChI | MCULE-3119679537-1.inchi |
| InChIKey | MCULE-3119679537-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867414317 | N/A | As is | by synthesis |
| P-580237392 | 95 | As is | by synthesis |
| P-606834778 | N/A | As is | in stock |
| P-489139402 | 97 | As is | in stock |
| P-864110319 | 95 | As is | in stock |
| P-580721221 | 98 | As is | 1.88 kg |
| P-893256918 | 95 | As is | by synthesis |
| P-868652638 | 97 | As is | in stock |
| P-890209571 | 90 | As is | in stock |
| P-579511923 | 90 | As is | 14 g |
| P-890849250 | 95 | As is | in stock |
| P-488544469 | 90 | As is | in stock |
| P-862264408 | 95 | As is | 9.147 g |
| P-613334178 | 95 | As is | by synthesis |
| P-588251316 | N/A | As is | by synthesis |
| P-852505744 | N/A | As is | in stock |
| P-855402540 | 95 | As is | in stock |
| P-492281503 | 95 | As is | 278 mg |
| P-34033011 | 90 | As is | 278 mg |
| P-454364076 | 92 | As is | in stock |
| P-445285654 | 92 | As is | 300 mg |
| P-859981289 | 95 | As is | by synthesis |
| P-23873084 | 90 | As is | in stock |
| P-1131346 | 90 | As is | 830 mg |
| P-3226367 | 90 | As is | 830 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 139.109 |
| logP | 0.0731 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 34.022 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| 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 |
