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KHS 101

CAT: 0931-T4968-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T4968-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1262770-73-9
Target
Others, FGFR, Microtubule Associated
Related Pathways
Angiogenesis, Cytoskeletal Signaling, Others, Tyrosine Kinase/Adaptors
Purity
0.9963
Bioactivity
KHS101 is a novel inhibitor of transforming acidic coiled-coil protein 3 (TACC3) . It is a selective inducer of neuronal differentiation.
Smiles
C(NC=1N=C(NCC(C)C)C=CN1)C=2N=C(SC2)C3=CC=CC=C3
Molecular Formula
C18H21N5S
Molecular Weight
339.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CAS Number1262770-73-9
PubChem CID71304818
IUPAC Name4-N-(2-methylpropyl)-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
Molecular FormulaC18H21N5S
Molecular Weight339.5
XLogP4.4
Topological Polar Surface Area91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity361
SMILES
CC(C)CNC1=NC(=NC=C1)NCC2=CSC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C18H21N5S/c1-13(2)10-20-16-8-9-19-18(23-16)21-11-15-12-24-17(22-15)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,19,20,21,23)
InChIKey
DGRJOOOHPBSAHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CAS: 1262770-73-9
CID: 71304818
Formula: C18H21N5S
MW: 339.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass339.15176686
Monoisotopic Mass339.15176686
Topological Polar Surface Area91 Ų
Heavy Atom Count24
Formal Charge0
Complexity361
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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