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Sch-563705

CAS No.:
473728-58-4
Catalog Number:
AG00DB7E
Molecular Formula:
C23H27N3O5
Molecular Weight:
425.4776
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
95%
1 week
United States
$348
- +
5mg
95%
1 week
United States
$497
- +
10mg
95%
1 week
United States
$662
- +
Product Description
Catalog Number:
AG00DB7E
Chemical Name:
Sch-563705
CAS Number:
473728-58-4
Molecular Formula:
C23H27N3O5
Molecular Weight:
425.4776
MDL Number:
MFCD11035877
IUPAC Name:
3-[[3,4-dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
InChI:
InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
InChI Key:
DGKQQEVYYPCMNE-OAHLLOKOSA-N
SMILES:
CC[C@H](c1occ(c1)C(C)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C
Properties
Complexity:
748  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
425.195g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
425.485g/mol
Monoisotopic Mass:
425.195g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
C(4)-alkyl substituted furanyl cyclobutenediones as potent, orally bioavailable CXCR2 and CXCR1 receptor antagonists. Bioorganic & medicinal chemistry letters 20070701
Properties