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KD 5170

CAT: 0931-T21628-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T21628-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
940943-37-3
Target
HDAC, Others
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic, Others
Bioactivity
KD 5170, a pan inhibitor of histone deacetylases (HDACs), demonstrates widespread antitumor activity both in vitro and in vivo [1].
Smiles
CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O
Molecular Formula
C20H25N3O5S2
Molecular Weight
451.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

KD-5170

a histone deacetylase inhibitor; structure in first source

CAS Number940943-37-3
PubChem CID17754557
IUPAC NameS-[2-[6-[[4-[3-(dimethylamino)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate
Molecular FormulaC20H25N3O5S2
Molecular Weight451.6
XLogP2.2
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity658
SMILES
CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCCCN(C)C
InChI
InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
InChIKey
KXWBUKMWZKTHCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KD-5170
CAS: 940943-37-3
CID: 17754557
Formula: C20H25N3O5S2
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass451.12356325
Monoisotopic Mass451.12356325
Topological Polar Surface Area139 Ų
Heavy Atom Count30
Formal Charge0
Complexity658
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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