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Home Other Building Blocks Carm1-in-1

Carm1-in-1

CAS No.:
1020399-49-8
Catalog Number:
AG008TLM
Molecular Formula:
C26H21Br2NO3
Molecular Weight:
555.2578
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
1 week
United States
$196
- +
10mg
95%
1 week
United States
$307
- +
50mg
95%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG008TLM
Chemical Name:
Carm1-in-1
CAS Number:
1020399-49-8
Molecular Formula:
C26H21Br2NO3
Molecular Weight:
555.2578
MDL Number:
MFCD23115307
IUPAC Name:
(3E,5E)-1-benzyl-3,5-bis[(3-bromo-4-hydroxyphenyl)methylidene]piperidin-4-one
InChI:
InChI=1S/C26H21Br2NO3/c27-22-12-18(6-8-24(22)30)10-20-15-29(14-17-4-2-1-3-5-17)16-21(26(20)32)11-19-7-9-25(31)23(28)13-19/h1-13,30-31H,14-16H2/b20-10+,21-11+
InChI Key:
KNMFTTWVELIVCC-CLVAPQHMSA-N
SMILES:
O=C1/C(=C/c2ccc(c(c2)Br)O)/CN(C/C/1=C\c1ccc(c(c1)Br)O)Cc1ccccc1
Properties
Complexity:
670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
554.987g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
555.266g/mol
Monoisotopic Mass:
552.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Literature
Title Journal
Novel 3,5-bis(bromohydroxybenzylidene)piperidin-4-ones as coactivator-associated arginine methyltransferase 1 inhibitors: enzyme selectivity and cellular activity. Journal of medicinal chemistry 20110714
epigenetic multiple ligands: mixed histone/protein methyltransferase, acetyltransferase, and class III deacetylase (sirtuin) inhibitors. Journal of medicinal chemistry 20080410
Properties