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CypD inhibitor C-9

CAT: 0013-GTR19197815-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197815-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CypD inhibitor C-9
CAS Number
1572646-93-5
Field of Research
Epigenetics & Chromatin, Molecular Biology, Pharmacology & Drug Discovery
Smiles
C (NC1=CC=C (S (N) (=O) =O) C=C1) (=O) C=2SC (=NC2C) C3=CC (C#N) =C (OCC (C) C) C=C3
Molecular Formula
C22H22N4O4S2
Molecular Weight
470.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CypD inhibitor C-9
CAS Number1572646-93-5
PubChem CID118943806
IUPAC Name2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
Molecular FormulaC22H22N4O4S2
Molecular Weight470.6
XLogP3.8
Topological Polar Surface Area172
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity798
SMILES
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C22H22N4O4S2/c1-13(2)12-30-19-9-4-15(10-16(19)11-23)22-25-14(3)20(31-22)21(27)26-17-5-7-18(8-6-17)32(24,28)29/h4-10,13H,12H2,1-3H3,(H,26,27)(H2,24,28,29)
InChIKey
XYSDAMUFZPVEAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CypD inhibitor C-9
CAS: 1572646-93-5
CID: 118943806
Formula: C22H22N4O4S2
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass470.10824754
Monoisotopic Mass470.10824754
Topological Polar Surface Area172 Ų
Heavy Atom Count32
Formal Charge0
Complexity798
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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