BMS-708163 100mg

CAT: 0628-A10157-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A10157-100Size:100 mg

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CAS Number

1146699-66-2

Chemical Information

Avagacestat

Avagacestat is a ring assembly and an oxadiazole.

CAS Number	1146699-66-2
PubChem CID	46883536
IUPAC Name	(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
Molecular Formula	C20H17ClF4N4O4S
Molecular Weight	520.9
XLogP	4
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Heavy Atom Count	34
Formal Charge	0
Complexity	792

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

CAS: 1146699-66-2

CID: 46883536

Formula: C20H17ClF4N4O4S

MW: 520.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	520.9
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	520.0595166
Monoisotopic Mass	520.0595166
Topological Polar Surface Area	128 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	792
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A10157-25	BMS-708163 (Avagacestat) 25mg
A10157-1	BMS-708163 (Avagacestat) 1mg
A10157-10mM-D	BMS-708163 10mM * 1mL in DMSO
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B1622-25	BMS-708163
FA43361-01	BMS 708163
MBS384398-01	BMS-708163 (Avagacestat)
MBS578812	Avagacestat (BMS-708163)
bs-60032C-01	BMS-708163 (Avagacestat) --- γ-Secretase Inhibitor

BMS-708163 100mg

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