Products for Research Use Only

ERK5-IN-5

CAT: 0607-BA6454-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6454-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2318792-30-0
Form
A solid
Molecular Formula
C19H16ClN3O
Molecular Weight
337.80
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Erk5-IN-5
CAS Number2318792-30-0
PubChem CID52403715
IUPAC Name(4-chlorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
Molecular FormulaC19H16ClN3O
Molecular Weight337.8
XLogP3.3
Topological Polar Surface Area49
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity501
SMILES
C1CN(CC=C1C2=CNC3=C2C=CC=N3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H16ClN3O/c20-15-5-3-14(4-6-15)19(24)23-10-7-13(8-11-23)17-12-22-18-16(17)2-1-9-21-18/h1-7,9,12H,8,10-11H2,(H,21,22)
InChIKey
NPYUZOWNGDUZMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erk5-IN-5
CAS: 2318792-30-0
CID: 52403715
Formula: C19H16ClN3O
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass337.0981898
Monoisotopic Mass337.0981898
Topological Polar Surface Area49 Ų
Heavy Atom Count24
Formal Charge0
Complexity501
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