![CAS 1172637-87-4 4,5,6,7-Tetrahydro-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-4-phenyl-2-benzothiazolamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172637-87-4.gif)
CAS RN: 1172637-87-4
4,5,6,7-Tetrahydro-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-4-phenyl-2-benzothiazolamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1172637-87-4
- Purity/Analytical Methods: >99.0%
1172637-87-4 / N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
gamma-secretase modulator 1 | 4,5,6,7-Tetrahydro-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-4-phenyl-2-benzothiazolamine | N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Basic Information
CAS
1172637-87-4
Multi CAS
Yes
Molecular Formula
C24H24N4OS
Molecular Weight
416.500000
Exact Mass
416.167083
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(S3)CCCC4C5=CC=CC=C5)OC
InChI
InChI=1S/C24H24N4OS/c1-16-14-28(15-25-16)20-12-11-18(13-21(20)29-2)26-24-27-23-19(9-6-10-22(23)30-24)17-7-4-3-5-8-17/h3-5,7-8,11-15,19H,6,9-10H2,1-2H3,(H,26,27)
InChIKey
VFSGAZRYSCNFDF-UHFFFAOYSA-N
Synonyms
gamma-secretase modulator 1
4,5,6,7-Tetrahydro-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-4-phenyl-2-benzothiazolamine
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
VFSGAZRYSCNFDF-UHFFFAOYSA-N
gamma-secretase modulator 1?
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
121.47
TPSA
51.97
LogP / Solubility
WLOGP
5.86
MLOGP
5.18
XLogP3
5.5
Consensus LogP
5.51
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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