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ALK5-IN-34

CAT: 0607-BA9089-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA9089-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2785430-90-0
Form
A solid
Molecular Formula
C23H23N7O
Molecular Weight
413.48
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Alk5-IN-34
CAS Number2785430-90-0
PubChem CID163404076
IUPAC Name4-N-(8-methylcinnolin-4-yl)-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
Molecular FormulaC23H23N7O
Molecular Weight413.5
XLogP3.3
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity560
SMILES
CC1=C2C(=CC=C1)C(=CN=N2)NC3=NC(=NC=C3)NC4=CC(=CC=C4)N5CCOCC5
InChI
InChI=1S/C23H23N7O/c1-16-4-2-7-19-20(15-25-29-22(16)19)27-21-8-9-24-23(28-21)26-17-5-3-6-18(14-17)30-10-12-31-13-11-30/h2-9,14-15H,10-13H2,1H3,(H2,24,26,27,28,29)
InChIKey
MCNUKNAEEMORHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alk5-IN-34
CAS: 2785430-90-0
CID: 163404076
Formula: C23H23N7O
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass413.19640838
Monoisotopic Mass413.19640838
Topological Polar Surface Area88.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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