Products for Research Use Only

KHS-101

CAT: 1410-M11097-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11097-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KHS-101 (KHS101) is a small molecule that selectively induces a neuronal differentiation phenotype.
CAS Number
1262770-73-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
339.46
Molecular Formula
C18H21N5S
Notes
Research use only, not for human use.
Receptor
TACC3

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...
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