Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3516739749-0
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 | 9 USD | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 20 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-3516739749-0.sdf |
| SMILES | MCULE-3516739749-0.smiles |
| Standard InChI | MCULE-3516739749-0.inchi |
| InChIKey | MCULE-3516739749-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875705996 | N/A | As is | in stock |
| P-590418840 | 95 | As is | in stock |
| P-903030918 | 96 | As is | 50 g |
| P-893546127 | 90 | As is | 501.732 g |
| P-606836098 | N/A | As is | in stock |
| P-489212710 | 97 | As is | in stock |
| P-596940544 | 97 | As is | 150 g |
| P-895931985 | 95 | As is | by resynthesis (? - ? days) |
| P-864116252 | 95 | As is | in stock |
| P-580704642 | 97 | As is | 6.25 g |
| P-577181705 | 90 | As is | by synthesis |
| P-868624807 | 95 | As is | in stock |
| P-861971990 | 95 | As is | 64 g |
| P-905334222 | 95 | As is | 64 g |
| P-503003330 | 90 | As is | in stock |
| P-900955901 | 95 | As is | in stock |
| P-18768557 | 95 | As is | 32.985 g |
| P-454385700 | 95 | As is | 32.985 g |
| P-615647573 | 95 | As is | in stock |
| P-14059653 | 95 | As is | 209 mg |
| P-601066632 | 90 | As is | 209 mg |
| P-852417365 | N/A | As is | in stock |
| P-854748743 | 95 | As is | in stock |
| P-492278189 | 95 | As is | 22.998 g |
| P-26411593 | 90 | As is | 22.998 g |
| P-12627930 | 90 | As is | 5.179 g |
| P-596748924 | 97 | As is | 62.5 g |
| P-33346652 | 90 | As is | in stock |
| P-502404386 | 90 | As is | in stock |
| P-888222777 | 90 | As is | 7 mg |
| P-906787663 | 97 | As is | by synthesis |
| P-615402958 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 232.231 |
| logP | 1.7111 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 59.67 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.0848 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| 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 |
