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TNH

CAT: 0931-T80972-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T80972-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2137895-00-0
Target
Others, Kinesin
Related Pathways
Others, Cytoskeletal Signaling
Bioactivity
TNH, a dimeric compound, possesses the ability to penetrate living cells and facilitate the recruitment of proteins into cellular structures [1].
Smiles
O=C(OCC1=CC(OC)=C(OCCOCCOCCOCCOCCCCCCCl)C=C1N(=O)=O)NCCCOC2=C(OC)C=C(C=C2OC)CC3=CN=C(N=C3N)N
Molecular Formula
C39H57ClN6O13
Molecular Weight
853.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TMP-NVOC-Halo
CAS Number2137895-00-0
PubChem CID129012681
IUPAC Name[4-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxy-2-nitrophenyl]methyl N-[3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]propyl]carbamate
Molecular FormulaC39H57ClN6O13
Molecular Weight853.4
XLogP4.1
Topological Polar Surface Area245
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count32
Heavy Atom Count59
Formal Charge0
Complexity1090
SMILES
COC1=CC(=CC(=C1OCCCNC(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OCCOCCOCCOCCOCCCCCCCl)OC)OC)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C39H57ClN6O13/c1-50-32-24-30(31(46(48)49)25-33(32)57-20-19-56-18-17-55-16-15-54-14-13-53-11-7-5-4-6-9-40)27-59-39(47)43-10-8-12-58-36-34(51-2)22-28(23-35(36)52-3)21-29-26-44-38(42)45-37(29)41/h22-26H,4-21,27H2,1-3H3,(H,43,47)(H4,41,42,44,45)
InChIKey
ZJEAMRCCPGGFOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TMP-NVOC-Halo
CAS: 2137895-00-0
CID: 129012681
Formula: C39H57ClN6O13
MW: 853.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight853.4
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count32
Exact Mass852.3672136
Monoisotopic Mass852.3672136
Topological Polar Surface Area245 Ų
Heavy Atom Count59
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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