Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4513703992-0
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 | 29 USD | 95 | 17 working days | Get Quote |
| 5 mg | 29 USD | 95 | 17 working days | Get Quote |
| 10 mg | 29 USD | 95 | 17 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.
-
MCULE-2030059165-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4513703992-0.sdf |
| SMILES | MCULE-4513703992-0.smiles |
| Standard InChI | MCULE-4513703992-0.inchi |
| InChIKey | MCULE-4513703992-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633566 | 95 | As is | in stock |
| P-875798292 | N/A | As is | in stock |
| P-887313589 | 95 | As is | in stock |
| P-903153237 | 95 | As is | 125 g |
| P-866099612 | 95 | As is | 14.8 g |
| P-606832775 | N/A | As is | in stock |
| P-489151838 | 97 | As is | in stock |
| P-892190448 | 95 | As is | 75 g |
| P-494328733 | 95 | As is | by resynthesis (? - ? days) |
| P-896023504 | 95 | As is | in stock |
| P-481172875 | 95 | As is | 39 g |
| P-492247256 | 95 | As is | in stock |
| P-454639362 | 90 | As is | in stock |
| P-448682909 | 90 | As is | 2.607 g |
| P-620801422 | 95 | As is | 20 g |
| P-425215411 | 90 | As is | in stock |
| P-19957866 | 90 | As is | in stock |
| P-851251057 | 95 | As is | by synthesis |
| P-861271739 | 95 | As is | in stock |
| P-1263294780 | 95 | As is | in stock |
| P-34486749 | 90 | As is | by synthesis |
| P-580300490 | 95 | As is | by resynthesis (? - ? days) |
| P-861961222 | 95 | As is | 75 g |
| P-492237935 | 95 | As is | in stock |
| P-488553193 | 90 | As is | in stock |
| P-596547885 | 95 | As is | 100 mg |
| P-454401066 | 95 | As is | 1000 mg |
| P-14055137 | 95 | As is | unavailable |
| P-580495628 | 95 | As is | by synthesis |
| P-852398399 | N/A | As is | in stock |
| P-519751958 | 97 | As is | 132.4 g |
| P-454373331 | 92 | As is | in stock |
| P-885517369 | 95 | As is | by synthesis |
| P-19573297 | 90 | As is | in stock |
| P-22636744 | 90 | As is | in stock |
| P-502400245 | 90 | As is | in stock |
| P-888447437 | 94 | As is | by resynthesis (? - ? days) |
| P-906889002 | 95 | As is | by synthesis |
| P-611599569 | 90 | As is | in stock |
| P-25174589 | 90 | As is | 1.66 g |
| P-3230453 | 90 | As is | 1.66 g |
| P-575304622 | 95 | As is | in stock |
| P-886662125 | 95 | As a main component | in stock |
| P-889964609 | N/A | As a main component | by synthesis |
| P-869200421 | 95 | As a main component | in stock |
| P-903227610 | 95 | As a main component | 2.5 g |
| P-851758012 | N/A | As a main component | by synthesis |
| P-901445528 | 95 | As a main component | by synthesis |
| P-861551304 | 95 | As a main component | by synthesis |
| P-675284160 | 95 | As a main component | by synthesis |
| P-601075471 | 90 | As a main component | 235 mg |
| P-467997511 | 95 | As a main component | 235 mg |
| P-611466617 | 90 | As a main component | in stock |
| P-893757482 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 209.696 |
| logP | 3.5489 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.312 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| 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 |
