Products for Research Use Only
RegisterLogin

VU0661013

CAT: 0931-T17247-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T17247-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2131184-57-9
Target
Bcl-2 Family
Related Pathways
Apoptosis
Purity
0.9946
Bioactivity
VU0661013 is an effective and selective inhibitor of MCL-1.
Smiles
C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12
Molecular Formula
C39H39Cl2N5O4
Molecular Weight
712.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((4R)-7-chloro-10-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino(1,2-a)indol-2(1H)-yl)-1-methyl-1H-indole-5-carboxylic acid
CAS Number2131184-57-9
PubChem CID134828256
IUPAC Name3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1-methylindole-5-carboxylic acid
Molecular FormulaC39H39Cl2N5O4
Molecular Weight712.7
XLogP8.1
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count50
Formal Charge0
Complexity1230
SMILES
C[C@@H]1CN(C(=O)C2=C(C3=C(N12)C(=C(C=C3)Cl)C4=C(N(N=C4C)C)C)CCCOC5=CC(=C(C(=C5)C)Cl)C)C6=CN(C7=C6C=C(C=C7)C(=O)O)C
InChI
InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1
InChIKey
BSAYHBZFNXDOIJ-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of 3-((4R)-7-chloro-10-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino(1,2-a)indol-2(1H)-yl)-1-methyl-1H-indole-5-carboxylic acid
CAS: 2131184-57-9
CID: 134828256
Formula: C39H39Cl2N5O4
MW: 712.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight712.7
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass711.2379101
Monoisotopic Mass711.2379101
Topological Polar Surface Area94.5 Ų
Heavy Atom Count50
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T202986-01VU0631019

Alternative Products

CatalogName
MBS133171VU0661013

Popular Products