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Mcl1-in-1

CAS No.:
713492-66-1
Catalog Number:
AG00FC09
Molecular Formula:
C23H18ClN3O4
Molecular Weight:
435.8597
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00FC09
Chemical Name:
Mcl1-in-1
CAS Number:
713492-66-1
Molecular Formula:
C23H18ClN3O4
Molecular Weight:
435.8597
MDL Number:
MFCD06000335
IUPAC Name:
2-[2-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]phenoxy]acetic acid
InChI:
InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29)
InChI Key:
VMEDTSNKTYMQLG-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccccc1C(c1cc(Cl)c2c(c1O)nccc2)Nc1ccccn1
Properties
Complexity:
597  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.099g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
435.864g/mol
Monoisotopic Mass:
435.099g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties