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C-Kit-IN-10

CAT: 0013-GTR19264572-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264572-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C-Kit-IN-10 (Compound 1) is an inhibitor of c-Kit. It is useful in research related to inflammation and malignant cancers, such as asthma.
CAS Number
1123512-36-6
Field of Research
Signal Transduction
Smiles
O=C (O) C1CCN (CC2=CC=C (C=C2) NC=3N=CC (=CN3) C4=CC=C (OC (F) F) C=C4) CC1
Molecular Formula
C24H24F2N4O3
Molecular Weight
454.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-(5-(4-(Difluoromethoxy)phenyl)pyrimidin-2-ylamino)benzyl)piperidine-4-carboxylic acid
CAS Number1123512-36-6
PubChem CID25195720
IUPAC Name1-[[4-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]methyl]piperidine-4-carboxylic acid
Molecular FormulaC24H24F2N4O3
Molecular Weight454.5
XLogP2.2
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity597
SMILES
C1CN(CCC1C(=O)O)CC2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F
InChI
InChI=1S/C24H24F2N4O3/c25-23(26)33-21-7-3-17(4-8-21)19-13-27-24(28-14-19)29-20-5-1-16(2-6-20)15-30-11-9-18(10-12-30)22(31)32/h1-8,13-14,18,23H,9-12,15H2,(H,31,32)(H,27,28,29)
InChIKey
IPPMFJCPJSBGNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-(5-(4-(Difluoromethoxy)phenyl)pyrimidin-2-ylamino)benzyl)piperidine-4-carboxylic acid
CAS: 1123512-36-6
CID: 25195720
Formula: C24H24F2N4O3
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass454.18164696
Monoisotopic Mass454.18164696
Topological Polar Surface Area87.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity597
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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