MeBIO

CAT: 0127-BUP12399-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12399-06Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

667463-95-8

Purity

=98%

Smiles

CN1C(=O)\C(=C2/Nc3ccccc3/C/2=N\O)c2ccc(Br)cc12

Chemical Information

MeBIO

CAS Number	667463-95-8
PubChem CID	135524908
IUPAC Name	6-bromo-1-methyl-3-(3-nitroso-1H-indol-2-yl)indol-2-ol
Molecular Formula	C17H12BrN3O2
Molecular Weight	370.2
XLogP	3.8
Topological Polar Surface Area	70.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	465

SMILES

CN1C2=C(C=CC(=C2)Br)C(=C1O)C3=C(C4=CC=CC=C4N3)N=O

InChI

InChI=1S/C17H12BrN3O2/c1-21-13-8-9(18)6-7-11(13)14(17(21)22)16-15(20-23)10-4-2-3-5-12(10)19-16/h2-8,19,22H,1H3

InChIKey

PIDGGJYETVQYET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 667463-95-8

CID: 135524908

Formula: C17H12BrN3O2

MW: 370.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.2
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	369.01129
Monoisotopic Mass	369.01129
Topological Polar Surface Area	70.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	465
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3616080-01	MeBIO
sc-221688	GSK-3 Inhibitor IX, Control, MeBIO