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Msx-122

CAS No.:
897657-95-3
Catalog Number:
AG00GU9P
Molecular Formula:
C16H16N6
Molecular Weight:
292.3384
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
98%
1 week
United States
$173
- +
10mg
98%
1 week
United States
$223
- +
50mg
98%
1 week
United States
$640
- +
100mg
98%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG00GU9P
Chemical Name:
Msx-122
CAS Number:
897657-95-3
Molecular Formula:
C16H16N6
Molecular Weight:
292.3384
MDL Number:
MFCD18803971
IUPAC Name:
N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
InChI:
InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)
InChI Key:
PXZXYRKDDXKDTK-UHFFFAOYSA-N
SMILES:
c1cnc(nc1)NCc1ccc(cc1)CNc1ncccn1
UNII:
69D634Q702
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.144g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
292.346g/mol
Monoisotopic Mass:
292.144g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Development of a unique small molecule modulator of CXCR4. PloS one 20120101
Properties