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BX-517

CAT: 0013-GTR19160226-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160226-01Size:200 mg
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Description
BX-517, also known as PDK1 inhibitor2, is a potent and selective PDK1 inhibitor.
CAS Number
850717-64-5
Product Name Alternative
BX-517 | BX 517 | BX517 | PDK1 inhibitor2
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 27 mg/mL; 95.64 mM
Smiles
O=C (Nc1cc2c (NC (=O) /C/2=C (\c2ccc[nH]2) /C) cc1) N
Molecular Formula
C15H14N4O2
Molecular Weight
282.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(Z) -N- (3- (1- (1H-pyrrol-2-yl) ethylidene) -2-hydroxy-3H-indol-5-yl) carbamimidic acid

Chemical Information

BX-517

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

CAS Number850717-64-5
PubChem CID11161844
IUPAC Name[(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]urea
Molecular FormulaC15H14N4O2
Molecular Weight282.30
XLogP0.9
Topological Polar Surface Area100
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity488
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
2D structure of BX-517
CAS: 850717-64-5
CID: 11161844
Formula: C15H14N4O2
MW: 282.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.30
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass282.11167570
Monoisotopic Mass282.11167570
Topological Polar Surface Area100 Ų
Heavy Atom Count21
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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