CLK-IN-T3

CAT: 0607-BA3765-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3765-50Size:50 mg

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CAS Number

2109805-56-1

Form

A solid

Molecular Formula

C28H30N6O2

Molecular Weight

482.58

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Clk-IN-T3

CAS Number	2109805-56-1
PubChem CID	132585205
IUPAC Name	4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide
Molecular Formula	C28H30N6O2
Molecular Weight	482.6
XLogP	3.6
Topological Polar Surface Area	82.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	36
Formal Charge	0
Complexity	768

SMILES

CC(C)(C1=CC=C(C=C1)C(=O)NC2=CN3C=C(C=CC3=N2)C4=CC=NC=C4)C(=O)N5CCN(CC5)C

InChI

InChI=1S/C28H30N6O2/c1-28(2,27(36)33-16-14-32(3)15-17-33)23-7-4-21(5-8-23)26(35)31-24-19-34-18-22(6-9-25(34)30-24)20-10-12-29-13-11-20/h4-13,18-19H,14-17H2,1-3H3,(H,31,35)

InChIKey

IEFFSHLHNYVSEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2109805-56-1

CID: 132585205

Formula: C28H30N6O2

MW: 482.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.6
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	482.24302422
Monoisotopic Mass	482.24302422
Topological Polar Surface Area	82.8 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	768
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-115470-01	CLK-IN-T3
7570/10	T3 CLK
408086	T3-CLK
MBS3603352-01	CLK inhibitor T3
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GTR17968091	Clk Antibody
HY-130676	CLK-IN-T3N
MBS3600051-01	CLK inhibitor 2
GTR17963149	Clk-1 Antibody
GTR17963080	Clk-2 Antibody

CLK-IN-T3

Chemical Information

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