Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4757451306
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 | 71 USD | 90 | 8 working days | Get Quote |
| 5 mg | 84 USD | 98 | 16 working days | Get Quote |
| 10 mg | 84 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-4757451306.sdf |
| SMILES | MCULE-4757451306.smiles |
| Standard InChI | MCULE-4757451306.inchi |
| InChIKey | MCULE-4757451306.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266105518 | N/A | As is | in stock |
| P-875798157 | N/A | As is | in stock |
| P-869244378 | 95 | As is | by resynthesis (? - ? days) |
| P-893596816 | 90 | As is | 80 mg |
| P-851568664 | N/A | As is | by synthesis |
| P-895100608 | N/A | As is | 20 mg |
| P-1273258478 | 95 | As is | by resynthesis (? - ? days) |
| P-896049103 | 95 | As is | by synthesis |
| P-590945664 | 95 | As is | by synthesis |
| P-893236435 | 95 | As is | in stock |
| P-881633287 | 98 | As is | in stock |
| P-878207417 | 95 | As is | 10 mg |
| P-35215421 | 90 | As is | in stock |
| P-1272490468 | 95 | As is | in stock |
| P-878645091 | 98 | As is | in stock |
| P-896080604 | N/A | As is | 6.963 g |
| P-869179635 | 95 | As is | in stock |
| P-892301466 | 95 | As is | unavailable |
| P-892278940 | 95 | As is | 50 mg |
| P-892354250 | 95 | As is | 50 mg |
| P-33162377 | 90 | As is | 184 mg |
| P-611485340 | 90 | As is | in stock |
| P-1271626776 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 268.263 |
| logP | 3.1742 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 59.67 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.435 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| 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 |
