CDK9 inhibitor 2 5mg

CAT: 0628-A15039-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A15039-5Size:5 mg

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CAS Number

1263369-28-3

Chemical Information

Cdk9-IN-2

CAS Number	1263369-28-3
PubChem CID	49855228
IUPAC Name	4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
Molecular Formula	C23H25ClFN5
Molecular Weight	425.9
XLogP	4.7
Topological Polar Surface Area	75.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	518

SMILES

C1CC(CCC1N)NC2=NC=C(C(=C2)C3=NC(=CC=C3)NCC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C23H25ClFN5/c24-20-14-28-23(29-18-9-7-17(26)8-10-18)12-19(20)21-5-2-6-22(30-21)27-13-15-3-1-4-16(25)11-15/h1-6,11-12,14,17-18H,7-10,13,26H2,(H,27,30)(H,28,29)

InChIKey

XKHXPTSUVPZYDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1263369-28-3

CID: 49855228

Formula: C23H25ClFN5

MW: 425.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	425.9
XLogP3	4.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	425.1782517
Monoisotopic Mass	425.1782517
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	518
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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Alternative Products

Catalog	Name
A3294-100	CDK9 inhibitor
HY-124639-01	CDK9 inhibitor HH1
444078-01	Cdk9 Inhibitor II
MBS3840794-01	CDK9 inhibitor 2
sc-311303	Cdc7/Cdk9 Inhibitor
TBI4858-5MG	NVP-2, CDK9 inhibitor
030081	CDK9

CDK9 inhibitor 2 5mg

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