sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-(phenylsulfonyl)-

1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-(phenylsulfonyl)-

CAS No.:
189089-91-6
Catalog Number:
AG002HUK
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002HUK
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-(phenylsulfonyl)-
CAS Number:
189089-91-6
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
MDL Number:
MFCD15529564
IUPAC Name:
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C14H10N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-10H
InChI Key:
GKAPUAJWUZIFEM-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)nccc2
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nature chemical biology 20150301
Properties