Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1749452976
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 | 126 USD | 95 | 15 working days | Get Quote |
| 5 mg | 126 USD | 95 | 15 working days | Get Quote |
| 10 mg | 126 USD | 95 | 15 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-1749452976.sdf |
| SMILES | MCULE-1749452976.smiles |
| Standard InChI | MCULE-1749452976.inchi |
| InChIKey | MCULE-1749452976.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867618728 | 95 | As is | in stock |
| P-875780219 | 95 | As is | in stock |
| P-892784386 | 95 | As is | by resynthesis (? - ? days) |
| P-903126639 | 95 | As is | 500 mg |
| P-893595365 | 90 | As is | 2.5 g |
| P-1270307237 | 95 | As is | in stock |
| P-851935937 | N/A | As is | in stock |
| P-865916674 | 95 | As is | 1000 mg |
| P-1273390476 | 95 | As is | by resynthesis (? - ? days) |
| P-864204896 | 95 | As is | in stock |
| P-617431111 | 95 | As is | 325 mg |
| P-870588946 | 95 | As is | by synthesis |
| P-901409016 | 95 | As is | 500 mg |
| P-855955422 | 95 | As is | 50 mg |
| P-1279646062 | N/A | As is | in stock |
| P-1279044083 | N/A | As is | by synthesis |
| P-869092708 | 95 | As is | by synthesis |
| P-888842118 | N/A | As is | by synthesis |
| P-1279263666 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.053 |
| logP | 1.4325 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 46.17 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.1222 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
