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CXCR4 antagonist 8

CAT: 0013-GTR19187191-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187191-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CXCR4 antagonist 8
CAS Number
2304750-84-1
Field of Research
Cell Biology, Immunology & Inflammation, Immunology & Inflammation; Pharmacology & Drug Discovery, Pharmacology & Drug Discovery
Smiles
N (CC=1C=C (N=C (C) N1) N2CCN (C) CC2) (C) C=3C4=C (C=CC3) C=CC=N4
Molecular Formula
C21H26N6
Molecular Weight
362.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CXCR4 antagonist 8
CAS Number2304750-84-1
PubChem CID138491866
IUPAC NameN-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
Molecular FormulaC21H26N6
Molecular Weight362.5
XLogP2.8
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity466
SMILES
CC1=NC(=CC(=N1)N2CCN(CC2)C)CN(C)C3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C21H26N6/c1-16-23-18(14-20(24-16)27-12-10-25(2)11-13-27)15-26(3)19-8-4-6-17-7-5-9-22-21(17)19/h4-9,14H,10-13,15H2,1-3H3
InChIKey
LBCVTARDQMLTQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CXCR4 antagonist 8
CAS: 2304750-84-1
CID: 138491866
Formula: C21H26N6
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass362.22189485
Monoisotopic Mass362.22189485
Topological Polar Surface Area48.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity466
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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