![CAS 2056122-11-1 Thieno[2,3-b]pyridin-6(7H)-one, 4-amino-5-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2056122-11-1.png)
CAS RN: 2056122-11-1
Thieno[2,3-b]pyridin-6(7H)-one, 4-amino-5-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock3 grade groups
- Product code: starshine_CAS2056122-11-1
- Purity/Analytical Methods: >99.0%
2056122-11-1 / 4-amino-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
Basic Information
CAS
2056122-11-1
Multi CAS
No
Molecular Formula
C19H20N6OS
Molecular Weight
380.500000
Exact Mass
380.141930
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(NC4=O)SC=C5)N
InChI
InChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-13-14(10-11)22-17(21-13)15-16(20)12-4-9-27-19(12)23-18(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26)
InChIKey
WKFZMTSRRQSGEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
111.66
TPSA
94.04
LogP / Solubility
WLOGP
2.47
MLOGP
2.19
XLogP3
1.6
Consensus LogP
2.09
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 2056254-18-1 1,3,5-Tris[4-[(E)-2-(2,6-di-tert-butylpyrylium-4-yl)vinyl]phenyl]benzene Tetrafluoroborate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,3,5-Tris[4-[(E)-2-(2,6-di-tert-butylpyrylium-4-yl)vinyl]phenyl]benzene Tetrafluoroborate
- CAS RN: 2056254-18-1
- Product Code: starshine_CAS2056254-18-1
- Purity/Analytical method: >99.0%
-
BRD0705
- CAS RN: 2056261-41-5
- Product Code: starshine_CAS2056261-41-5
- Purity/Analytical method: >99.0%
-
2-Bromo-6-phenyl[1,2,4]triazolo[1,5-a]pyridine
- CAS RN: 2056277-99-5
- Product Code: starshine_CAS2056277-99-5
- Purity/Analytical method: >99.0%
-
(2R)-ethyl 2-hydroxy-3-(2-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)propanoate
- CAS RN: 2056887-68-2
- Product Code: SSC-096884
-
-
tert-butyl (R)-3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
- CAS RN: 2057405-73-7
- Product Code: SSC-096902
![CAS 2056254-18-1 1,3,5-Tris[4-[(E)-2-(2,6-di-tert-butylpyrylium-4-yl)vinyl]phenyl]benzene Tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2056254-18-1.png)
![CAS 2056277-99-5 2-Bromo-6-phenyl[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2056277-99-5.png)
