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Home Other Building Blocks I-CBP112

I-CBP112

CAS No.:
1640282-31-0
Catalog Number:
AG00AS47
Molecular Formula:
C27H36N2O5
Molecular Weight:
468.5851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$223
- +
5mg
98%
1 week
United States
$523
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$3057
- +
100mg
98%
1 week
United States
$4723
- +
Product Description
Catalog Number:
AG00AS47
Chemical Name:
I-CBP112
CAS Number:
1640282-31-0
Molecular Formula:
C27H36N2O5
Molecular Weight:
468.5851
MDL Number:
MFCD26792587
IUPAC Name:
1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one
InChI:
InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1
InChI Key:
YKNAKDFZAWQEEO-IBGZPJMESA-N
SMILES:
CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C1)C)c1ccc(c(c1)OC)OC
Properties
Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
468.262g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.594g/mol
Monoisotopic Mass:
468.262g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Structural basis of site-specific histone recognition by the bromodomains of human coactivators PCAF and CBP/p300. Structure (London, England : 1993) 20080401
CBP and p300: HATs for different occasions. Biochemical pharmacology 20040915
p300/CBP and cancer. Oncogene 20040524
Properties