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PP2 Analog

CAT: 0931-T6266L-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T6266L-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
309739-67-1
Target
Others, Src
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Others
Bioactivity
PP2 Analog is an analog of PP2. It also acts as a protein trafficking modulator.
Smiles
NC1=C2C(=CN(C(C)(C)C)C2=NC=N1)C3=CC=C(Cl)C=C3
Molecular Formula
C16H17ClN4
Molecular Weight
300.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Tert-butyl-5-(4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Number309739-67-1
PubChem CID44308830
IUPAC Name7-tert-butyl-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC16H17ClN4
Molecular Weight300.78
XLogP3.4
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity362
SMILES
CC(C)(C)N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN4/c1-16(2,3)21-8-12(10-4-6-11(17)7-5-10)13-14(18)19-9-20-15(13)21/h4-9H,1-3H3,(H2,18,19,20)
InChIKey
CYTZASCNUGMIJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Tert-butyl-5-(4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CAS: 309739-67-1
CID: 44308830
Formula: C16H17ClN4
MW: 300.78
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight300.78
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass300.1141743
Monoisotopic Mass300.1141743
Topological Polar Surface Area56.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity362
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