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GRK6-IN-1

CAT: 0607-BA5340-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5340-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2677786-61-5
Form
A solid
Molecular Formula
C22H23ClN6O2
Molecular Weight
438.91
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Grk6-IN-1
CAS Number2677786-61-5
PubChem CID163196291
IUPAC Name2-N-[(4-chloro-2-methoxyphenyl)methyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxyquinazoline-2,4-diamine
Molecular FormulaC22H23ClN6O2
Molecular Weight438.9
XLogP5.3
Topological Polar Surface Area97
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity560
SMILES
CCC1=CC(=NN1)NC2=NC(=NC3=C2C(=CC=C3)OC)NCC4=C(C=C(C=C4)Cl)OC
InChI
InChI=1S/C22H23ClN6O2/c1-4-15-11-19(29-28-15)26-21-20-16(6-5-7-17(20)30-2)25-22(27-21)24-12-13-8-9-14(23)10-18(13)31-3/h5-11H,4,12H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKey
ACLLLJSNOCYQOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Grk6-IN-1
CAS: 2677786-61-5
CID: 163196291
Formula: C22H23ClN6O2
MW: 438.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.9
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass438.1571017
Monoisotopic Mass438.1571017
Topological Polar Surface Area97 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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