Home Halogens N-(3-chloro-4-methylphenyl)-N'-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]methyl]-urea

N-(3-chloro-4-methylphenyl)-N'-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]methyl]-urea

CAS No.:
1010100-07-8
Catalog Number:
AG01EPNZ
Molecular Formula:
C22H21ClN4O4
Molecular Weight:
440.8795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$250
- +
5mg
99%
1 week
United States
$265
- +
10mg
99%
1 week
United States
$348
- +
25mg
99%
1 week
United States
$598
- +
50mg
99%
1 week
United States
$932
- +
100mg
99%
1 week
United States
$1446
- +
Product Description
Catalog Number:
AG01EPNZ
Chemical Name:
N-(3-chloro-4-methylphenyl)-N'-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]methyl]-urea
CAS Number:
1010100-07-8
Molecular Formula:
C22H21ClN4O4
Molecular Weight:
440.8795
MDL Number:
MFCD31657329
IUPAC Name:
1-(3-chloro-4-methylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
InChI:
InChI=1S/C22H21ClN4O4/c1-12-2-4-15(9-17(12)23)25-22(31)24-10-13-3-5-16-14(8-13)11-27(21(16)30)18-6-7-19(28)26-20(18)29/h2-5,8-9,18H,6-7,10-11H2,1H3,(H2,24,25,31)(H,26,28,29)
InChI Key:
DOEVCIHTTTYVCC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)C)NCc1ccc2c(c1)CN(C2=O)C1CCC(=O)NC1=O
Properties
Complexity:
747  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.125g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
440.884g/mol
Monoisotopic Mass:
440.125g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase. Nature 20160714
Properties