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HDAC/NAMPT-IN-1

CAT: 0931-T86548-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T86548-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2898381-63-8
Target
NAMPT, HDAC
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair, Metabolism
Bioactivity
HDAC/NAMPT-IN-1 (compound 39h) simultaneously inhibits HDAC and NAMPT, exhibiting IC 50 values ranging from 0.72 to 37081 nM for HDAC and 1618 nM for NAMPT [1].
Smiles
C(NCC1=CC=C(C(NNCCC)=O)C=C1)(=O)C2=CC=3C(N2)=CC=NC3
Molecular Formula
C19H21N5O2
Molecular Weight
351.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hdac/nampt-IN-1
CAS Number2898381-63-8
PubChem CID167438149
IUPAC NameN-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
Molecular FormulaC19H21N5O2
Molecular Weight351.4
XLogP2
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity479
SMILES
CCCNNC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CN=C3
InChI
InChI=1S/C19H21N5O2/c1-2-8-22-24-18(25)14-5-3-13(4-6-14)11-21-19(26)17-10-15-12-20-9-7-16(15)23-17/h3-7,9-10,12,22-23H,2,8,11H2,1H3,(H,21,26)(H,24,25)
InChIKey
AAJJDOFESDDARD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac/nampt-IN-1
CAS: 2898381-63-8
CID: 167438149
Formula: C19H21N5O2
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass351.16952493
Monoisotopic Mass351.16952493
Topological Polar Surface Area98.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity479
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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