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BAY-707

CAT: 0013-GTR19203960-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203960-01Size:5 mg
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Description
BAY-707
CAS Number
2109805-96-9
Field of Research
Cell Biology, Molecular Biology
Smiles
C (NCC) (=O) C1=CC2=C (C=CN=C2N1) N3[C@@H] (C) COCC3
Molecular Formula
C15H20N4O2
Molecular Weight
288.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bay-707

structure in first source

CAS Number2109805-96-9
PubChem CID129012086
IUPAC NameN-ethyl-4-[(3S)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Molecular FormulaC15H20N4O2
Molecular Weight288.34
XLogP1.5
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity379
SMILES
CCNC(=O)C1=CC2=C(C=CN=C2N1)N3CCOC[C@@H]3C
InChI
InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKey
RPMGXDCRCWWCRY-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Bay-707
CAS: 2109805-96-9
CID: 129012086
Formula: C15H20N4O2
MW: 288.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.34
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass288.15862589
Monoisotopic Mass288.15862589
Topological Polar Surface Area70.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity379
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

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BA4013-5.1BAY-707
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