Products for Research Use Only
RegisterLogin

BMS-708163 (Avagacestat)

CAT: 0607-A4022-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A4022-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
γ-secretase inhibitor
CAS Number
1146699-66-2
Product Name Alternative
(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
Field of Research
Proteases Gamma Secretase
Purity
0.9873
Solubility
insoluble in H2O; ≥177.6 mg/mL in DMSO; ≥47.6 mg/mL in EtOH with ultrasonic
Smiles
C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl
Molecular Formula
C20H17ClF4N4O4S
Molecular Weight
520.88
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Avagacestat

Avagacestat is a ring assembly and an oxadiazole.

CAS Number1146699-66-2
PubChem CID46883536
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
Molecular FormulaC20H17ClF4N4O4S
Molecular Weight520.9
XLogP4
Topological Polar Surface Area128
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity792
SMILES
C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)Cl
InChI
InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
InChIKey
XEAOPVUAMONVLA-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Avagacestat
CAS: 1146699-66-2
CID: 46883536
Formula: C20H17ClF4N4O4S
MW: 520.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.9
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass520.0595166
Monoisotopic Mass520.0595166
Topological Polar Surface Area128 Ų
Heavy Atom Count34
Formal Charge0
Complexity792
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A3254-5.1BMS-663068
BA4662-25BMS-986158
B5438-5BMS 753
BA5193-5BMS-986224
BA2785-100BMS-536924
BA5633-50BMS-986122
BA7708-5.1BMS-214662
BA7294-10BMS-684
BA6141-5.1BMS-1166
A4400-10BMS 299897

Alternative Products

CatalogName
MBS384398-01BMS-708163 (Avagacestat)
MBS578812Avagacestat (BMS-708163)
A10157-25BMS-708163 (Avagacestat) 25mg
A10157-500BMS-708163 (Avagacestat) 500mg
A10157-1BMS-708163 (Avagacestat) 1mg
bs-60032C-01BMS-708163 (Avagacestat) --- γ-Secretase Inhibitor
B1622-25BMS-708163
FA43361-01BMS 708163
A10157-10BMS-708163 10mg

Popular Products