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CLK1-IN-3

CAT: 0607-BA3655-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3655-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2922550-28-3
Form
A solid
Molecular Formula
C24H23FN6O
Molecular Weight
430.48
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at 4°C.

Chemical Information

Clk1-IN-3
CAS Number2922550-28-3
PubChem CID168355546
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-(4-methylpiperazin-1-yl)benzamide
Molecular FormulaC24H23FN6O
Molecular Weight430.5
XLogP2.7
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity636
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(NC=C4C5=CC(=CN=C5)F)N=C3
InChI
InChI=1S/C24H23FN6O/c1-30-6-8-31(9-7-30)20-4-2-16(3-5-20)24(32)29-19-11-21-22(15-28-23(21)27-14-19)17-10-18(25)13-26-12-17/h2-5,10-15H,6-9H2,1H3,(H,27,28)(H,29,32)
InChIKey
LQKHTRXKHPHEPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clk1-IN-3
CAS: 2922550-28-3
CID: 168355546
Formula: C24H23FN6O
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass430.19173754
Monoisotopic Mass430.19173754
Topological Polar Surface Area77.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity636
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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