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UNC2327, Allosteric PRMT3 Inhibitor

CAT: 0498-bs-60253C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-60253C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426152-53-5
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
DMSO up to 100 mM
Smiles
O=C(CNC(=O)NC1=CC2SN=NC=2C=C1)N1CCCCC1
Molecular Formula
C14 H17 N5 O2 S
Molecular Weight
319.38
InChI
InChI=1S/C14H17N5O2S/c20-13 (19-6-2-1-3-7-19) 9-15-14 (21) 16-10-4-5-11-12 (8-10) 22-18-17-11/h4-5,8H,1-3,6-7,9H2, (H2,15,16,21)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea
CAS Number1426152-53-5
PubChem CID71583615
IUPAC Name1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
Molecular FormulaC14H17N5O2S
Molecular Weight319.38
XLogP1.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity416
SMILES
C1CCN(CC1)C(=O)CNC(=O)NC2=CC3=C(C=C2)N=NS3
InChI
InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)
InChIKey
MYTRGTBDVGKKRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea
CAS: 1426152-53-5
CID: 71583615
Formula: C14H17N5O2S
MW: 319.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.38
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass319.11029598
Monoisotopic Mass319.11029598
Topological Polar Surface Area115 Ų
Heavy Atom Count22
Formal Charge0
Complexity416
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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