Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5902974168
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 | 31 USD | 98 | 19 working days | Get Quote |
| 5 mg | 31 USD | 98 | 19 working days | Get Quote |
| 10 mg | 51 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-5902974168.sdf |
| SMILES | MCULE-5902974168.smiles |
| Standard InChI | MCULE-5902974168.inchi |
| InChIKey | MCULE-5902974168.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611957 | N/A | As is | in stock |
| P-875772306 | N/A | As is | in stock |
| P-1275199392 | 98 | As is | in stock |
| P-505402077 | 95 | As is | by resynthesis (? - ? days) |
| P-580193029 | 98 | As is | in stock |
| P-903113721 | 98 | As is | 500 mg |
| P-610989741 | 90 | As is | 29.923 g |
| P-1270320027 | 99 | As is | in stock |
| P-606842258 | N/A | As is | in stock |
| P-596962942 | 99 | As is | 500 mg |
| P-1273268622 | 95 | As is | by resynthesis (? - ? days) |
| P-864137685 | 95 | As is | in stock |
| P-868544918 | 99 | As is | in stock |
| P-580723334 | 99 | As is | 1.142 g |
| P-851266970 | 95 | As is | by synthesis |
| P-860799391 | 98 | As is | in stock |
| P-868569434 | 98 | As is | in stock |
| P-579479802 | 95 | As is | in stock |
| P-675215780 | 95 | As is | in stock |
| P-1273108853 | 95 | As is | 81 mg |
| P-854720659 | 95 | As is | in stock |
| P-474028095 | 95 | As is | in stock |
| P-608278917 | 98 | As is | in stock |
| P-491319230 | 95 | As is | by synthesis |
| P-579712605 | 98 | As is | in stock |
| P-873278960 | N/A | As is | in stock |
| P-892291542 | 95 | As is | unavailable |
| P-464638597 | 95 | As is | 101 mg |
| P-888640754 | 95 | As is | 101 mg |
| P-1271722651 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 366.191 |
| logP | 3.5527 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 93.814 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 13 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
