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VU661013

CAT: 1410-M13394-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M13394-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VU661013 (VU-661013) is a novel potent, selective MCL-1 inhibitor with Ki of 97 pM (human MCL-1) in TR-FRET assay.
CAS Number
2131184-57-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
712.672
Molecular Formula
C39H39Cl2N5O4
Notes
Research use only, not for human use.
Receptor
Bcl-2

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

Alternative Products

CatalogName
A8783-5VU661013
A18363-50VU661013 50mg
A18363-25VU661013 25mg
A18363-100VU661013 100mg
A18363-10VU661013 10mg
A18363-5VU661013 5mg
A18363-1VU661013 1mg
A18363-10mM-DVU661013 10mM * 1mL in DMSO

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