Products for Research Use Only

CCI 007

CAT: 1410-M24990-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M24990-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CCI 007 is a selective inhibitor of MLL-r, CALM-AF10 and SET-NUP214 leukemia with IC50 of 3.5 uM against MLL-r leukemia cell line PER-485
CAS Number
939228-52-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
336.36
Molecular Formula
C15H16N2O5S
Notes
Research use only, not for human use.
Receptor
MLL-r

Chemical Information

Ethyl 2-(4-((2-amino-4-oxothiazol-5(4H)-ylidene)methyl)-2-methoxyphenoxy)acetate
CAS Number939228-52-1
PubChem CID154792594
IUPAC Nameethyl 2-[4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetate
Molecular FormulaC15H16N2O5S
Molecular Weight336.4
XLogP2.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity508
SMILES
CCOC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=N)S2)OC
InChI
InChI=1S/C15H16N2O5S/c1-3-21-13(18)8-22-10-5-4-9(6-11(10)20-2)7-12-14(19)17-15(16)23-12/h4-7H,3,8H2,1-2H3,(H2,16,17,19)/b12-7+
InChIKey
KGSKTLMBOLPOTC-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(4-((2-amino-4-oxothiazol-5(4H)-ylidene)methyl)-2-methoxyphenoxy)acetate
CAS: 939228-52-1
CID: 154792594
Formula: C15H16N2O5S
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass336.07799279
Monoisotopic Mass336.07799279
Topological Polar Surface Area123 Ų
Heavy Atom Count23
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes