BX517

CAT: 0926-WMB84363-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-WMB84363-03Size:100 mg

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

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CAS Number

946843-63-6

Smiles

CC (=C1C2=C (C=CC (=C2) NC (=O) N) NC1=O) C3=CC=CN3

Molecular Formula

C15H14N4O2

Molecular Weight

282.3 g/mol

Controlled

Chemical Information

BX-517

a phosphoinositide-dependent kinase-1 inhibitor; structure in first source

CAS Number	946843-63-6
PubChem CID	11161844
IUPAC Name	[(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]urea
Molecular Formula	C15H14N4O2
Molecular Weight	282.30
XLogP	0.9
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	488

SMILES

C/C(=C/1\C2=C(C=CC(=C2)NC(=O)N)NC1=O)/C3=CC=CN3

InChI

InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8-

InChIKey

DFURSNCTQGJRRX-JYRVWZFOSA-N

Chemical Structure

2D Structure

CAS: 946843-63-6

CID: 11161844

Formula: C15H14N4O2

MW: 282.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.30
XLogP3	0.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	282.11167570
Monoisotopic Mass	282.11167570
Topological Polar Surface Area	100 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	488
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP05264-01	BX517
B5838-25	BX517(PDK1 inhibitor2)