Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3171875173
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 | 17 USD | 98 | 8 working days | Get Quote |
| 5 mg | 24 USD | 98 | 14 working days | Get Quote |
| 10 mg | 38 USD | 98 | 16 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-3171875173.sdf |
| SMILES | MCULE-3171875173.smiles |
| Standard InChI | MCULE-3171875173.inchi |
| InChIKey | MCULE-3171875173.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867544420 | 98 | As is | in stock |
| P-875701654 | 98 | As is | in stock |
| P-1275165363 | 98 | As is | in stock |
| P-580194770 | 98 | As is | in stock |
| P-903025618 | 98 | As is | 6 g |
| P-1264050551 | 95 | As is | in stock |
| P-610984603 | 90 | As is | 20.01 g |
| P-1270286232 | 98 | As is | in stock |
| P-606842288 | N/A | As is | in stock |
| P-596926454 | 98 | As is | 5 g |
| P-1273453216 | 95 | As is | by resynthesis (? - ? days) |
| P-1273457963 | 95 | As is | by resynthesis (? - ? days) |
| P-864173709 | 95 | As is | in stock |
| P-860055783 | 98 | As is | by synthesis |
| P-868544384 | 99 | As is | in stock |
| P-580704563 | 98 | As is | 400 mg |
| P-893230957 | 95 | As is | in stock |
| P-619926567 | 90 | As is | by synthesis |
| P-612683259 | 95 | As is | in stock |
| P-851268650 | 95 | As is | by synthesis |
| P-861348935 | 98 | As is | by synthesis |
| P-579481413 | 95 | As is | in stock |
| P-862063518 | 98 | As is | 5 g |
| P-675216206 | 95 | As is | in stock |
| P-504609547 | 90 | As is | by synthesis |
| P-492236881 | 95 | As is | in stock |
| P-1273109264 | 97 | As is | 100 mg |
| P-613314618 | 95 | As is | by synthesis |
| P-1272571560 | N/A | As is | 1000 mg |
| P-852406882 | N/A | As is | by synthesis |
| P-1275893094 | 95 | As is | by synthesis |
| P-854721222 | 95 | As is | in stock |
| P-871064802 | 95 | As is | in stock |
| P-608271679 | 98 | As is | in stock |
| P-888897412 | N/A | As is | in stock |
| P-579712311 | 98 | As is | in stock |
| P-869162111 | 95 | As is | 990 mg |
| P-892297106 | 95 | As is | 990 mg |
| P-888657502 | 95 | As is | 990 mg |
| P-23194047 | 90 | As is | in stock |
| P-873219799 | 90 | As is | in stock |
| P-1271723776 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.178 |
| logP | 1.6195 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 67.51 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.8605 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| 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 |
