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FLT3/ITD-IN-4

CAT: 0013-GTR19185714-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185714-01Size:25 mg
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Description
FLT3/ITD-IN-4
CAS Number
2278278-04-7
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
C (=O) (C1=CC=2C (O1) =CC=C (NC (NC=3C=C (C (C) (C) C) ON3) =O) C2) C=4NC=5C (C4) =CC (O) =CC5
Molecular Formula
C25H22N4O5
Molecular Weight
458.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flt3/itd-IN-4
CAS Number2278278-04-7
PubChem CID137499291
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(5-hydroxy-1H-indole-2-carbonyl)-1-benzofuran-5-yl]urea
Molecular FormulaC25H22N4O5
Molecular Weight458.5
XLogP5.2
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity773
SMILES
CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC3=C(C=C2)OC(=C3)C(=O)C4=CC5=C(N4)C=CC(=C5)O
InChI
InChI=1S/C25H22N4O5/c1-25(2,3)21-12-22(29-34-21)28-24(32)26-15-4-7-19-14(8-15)11-20(33-19)23(31)18-10-13-9-16(30)5-6-17(13)27-18/h4-12,27,30H,1-3H3,(H2,26,28,29,32)
InChIKey
RADJMCVKNQBZOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flt3/itd-IN-4
CAS: 2278278-04-7
CID: 137499291
Formula: C25H22N4O5
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass458.15901982
Monoisotopic Mass458.15901982
Topological Polar Surface Area133 Ų
Heavy Atom Count34
Formal Charge0
Complexity773
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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