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Serdemetan

CAS No.:
881202-45-5
Catalog Number:
AG008CDB
Molecular Formula:
C21H20N4
Molecular Weight:
328.4103
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
≥98%
1 week
United States
$194
- +
10mg
99%
1 week
United States
$240
- +
25mg
≥98%
1 week
United States
$561
- +
50mg
99%
1 week
United States
$698
- +
100mg
99%
1 week
United States
$1248
- +
Product Description
Catalog Number:
AG008CDB
Chemical Name:
Serdemetan
CAS Number:
881202-45-5
Molecular Formula:
C21H20N4
Molecular Weight:
328.4103
MDL Number:
MFCD16620518
IUPAC Name:
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
InChI:
InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)
InChI Key:
CEGSUKYESLWKJP-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)Nc1ccc(cc1)NCCc1c[nH]c2c1cccc2
UNII:
ID6YB4W3V8
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.169g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
328.419g/mol
Monoisotopic Mass:
328.169g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Preclinical assessment of JNJ-26854165 (Serdemetan), a novel tryptamine compound with radiosensitizing activity in vitro and in tumor xenografts. Cancer letters 20111222
Properties