sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks K-Ras(G12C) inhibitor 12

K-Ras(G12C) inhibitor 12

CAS No.:
1469337-95-8
Catalog Number:
AG001EFQ
Molecular Formula:
C15H17ClIN3O3
Molecular Weight:
449.6712
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
≥95%
1 week
United States
$222
- +
10mg
≥95%
1 week
United States
$369
- +
25mg
≥95%
1 week
United States
$708
- +
50mg
98%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG001EFQ
Chemical Name:
K-Ras(G12C) inhibitor 12
CAS Number:
1469337-95-8
Molecular Formula:
C15H17ClIN3O3
Molecular Weight:
449.6712
MDL Number:
MFCD28016953
IUPAC Name:
1-[4-[2-(4-chloro-2-hydroxy-5-iodoanilino)acetyl]piperazin-1-yl]prop-2-en-1-one
InChI:
InChI=1S/C15H17ClIN3O3/c1-2-14(22)19-3-5-20(6-4-19)15(23)9-18-12-8-11(17)10(16)7-13(12)21/h2,7-8,18,21H,1,3-6,9H2
InChI Key:
JFIFBWVNHLXJFY-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(I)c(cc1O)Cl
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
449.673g/mol
Monoisotopic Mass:
449g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature 20131128
Properties