Products for Research Use Only
RegisterLogin

Gamma-secretase modulator 1

CAT: 0127-BUP11550-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP11550-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1172637-87-4
Synonyms
N-[3-methoxy-4- (4-methylimidazol-1-yl) phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Purity
=98%
Smiles
COc1cc(Nc2nc3C(CCCc3s2)c2ccccc2)ccc1-n1cnc(C)c1

Chemical Information

gamma-Secretase modulator 1
CAS Number1172637-87-4
PubChem CID42647277
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Molecular FormulaC24H24N4OS
Molecular Weight416.5
XLogP5.5
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity559
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
Chemical Structure
2D Structure
2D structure of gamma-Secretase modulator 1
CAS: 1172637-87-4
CID: 42647277
Formula: C24H24N4OS
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass416.16708258
Monoisotopic Mass416.16708258
Topological Polar Surface Area80.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP20471Gamma-secretase modulator 3
BUP04275-01?-Secretase modulator 13
BUP02387-01?-Secretase-IN-1
BUP09474-01Kv3 modulator 1
BUP15234-01NOT Receptor Modulator 1
BUP15144-01CB2 modulator 1
BUP14313-01S1PR1 modulator 1
BUP12147-01CRBN modulator-1
BUP06783-01Sirtuin modulator 1
BUP05324-01Nur77 modulator 1

Alternative Products

CatalogName
T206107-01Gamma-secretase modulator 6
T64258-01Gamma-secretase modulator 5
HY-50754-01Gamma-secretase modulator 2
MBS5753164gamma-secretase modulator 3
MBS5753161gamma-secretase modulator 1
MBS5805891gamma-Secretase modulator 11
MBS5804951gamma-Secretase modulator 13
MBS5804575gamma-Secretase modulator 12
MBS5766704gamma-Secretase modulator 4
MBS5800580gamma-Secretase modulator 10

Popular Products