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FLT3-IN-4

CAT: 0607-BA8969-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8969-1Size:1 mg
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CAS Number
2304799-09-3
Form
A solid
Molecular Formula
C23H25N7O2
Molecular Weight
431.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Flt3-IN-4
CAS Number2304799-09-3
PubChem CID138454786
IUPAC Name1-[4-(4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
Molecular FormulaC23H25N7O2
Molecular Weight431.5
XLogP3.7
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity661
SMILES
CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN(C4=NC=NC(=C34)N)CC=C
InChI
InChI=1S/C23H25N7O2/c1-5-10-30-12-16(19-20(24)25-13-26-21(19)30)14-6-8-15(9-7-14)27-22(31)28-18-11-17(32-29-18)23(2,3)4/h5-9,11-13H,1,10H2,2-4H3,(H2,24,25,26)(H2,27,28,29,31)
InChIKey
XIMGYPHSYIMHAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flt3-IN-4
CAS: 2304799-09-3
CID: 138454786
Formula: C23H25N7O2
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass431.20697307
Monoisotopic Mass431.20697307
Topological Polar Surface Area124 Ų
Heavy Atom Count32
Formal Charge0
Complexity661
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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