Products for Research Use Only

JAK3-IN-16

CAT: 0931-T204968-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T204968-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1962125-80-9
Target
JAK
Related Pathways
JAK/STAT signaling, Stem Cells, Angiogenesis, Chromatin/Epigenetic, Tyrosine Kinase/Adaptors
Bioactivity
JAK3-IN-16 (compound 6) is a covalent inhibitor of JAK3.
Smiles
O=C(C=C)NC1=CC=CC(=C1)C=2N=CN=C3NC=CC32
Molecular Formula
C15H12N4O
Molecular Weight
264.282
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-(7H-Pyrrolo[2,3-D]pyrimidin-4-YL)phenyl]-2-propenamide
CAS Number1962125-80-9
PubChem CID132277003
IUPAC NameN-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]prop-2-enamide
Molecular FormulaC15H12N4O
Molecular Weight264.28
XLogP2.1
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity373
SMILES
C=CC(=O)NC1=CC=CC(=C1)C2=C3C=CNC3=NC=N2
InChI
InChI=1S/C15H12N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h2-9H,1H2,(H,19,20)(H,16,17,18)
InChIKey
FFMBRNVTWGVDHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(7H-Pyrrolo[2,3-D]pyrimidin-4-YL)phenyl]-2-propenamide
CAS: 1962125-80-9
CID: 132277003
Formula: C15H12N4O
MW: 264.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.28
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass264.10111102
Monoisotopic Mass264.10111102
Topological Polar Surface Area70.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity373
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