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ESI-09

CAT: 1568-C12732-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C12732-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
263707-16-0
SKU
C12732-5mg
Target
CAMP
Applications
GPCR & G Protein
Smiles
CC (C) (C) C1=CC (=NO1) C (=O) C (=NNC2=CC (=CC=C2) Cl) C#N
Molecular Formula
C16H15ClN4O2
Additionnal Information
ESI-09 is a specific exchange protein directly activated by cAMP (EPAC) inhibitor with IC50 of 3.2 μM and 1.4 μM for EPAC1 and EPAC2, respectively, >100-fold selectivity over PKA.
Storage Conditions
2 years -80 in solvent

Chemical Information

Esi-09
CAS Number263707-16-0
PubChem CID6077765
IUPAC Name(1E)-2-(5-tert-butyl-1,2-oxazol-3-yl)-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide
Molecular FormulaC16H15ClN4O2
Molecular Weight330.77
XLogP5.2
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity520
SMILES
CC(C)(C)C1=CC(=NO1)C(=O)/C(=N/NC2=CC(=CC=C2)Cl)/C#N
InChI
InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+
InChIKey
DXEATJQGQHDURZ-DEDYPNTBSA-N
Chemical Structure
2D Structure
2D structure of Esi-09
CAS: 263707-16-0
CID: 6077765
Formula: C16H15ClN4O2
MW: 330.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.77
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass330.0883534
Monoisotopic Mass330.0883534
Topological Polar Surface Area91.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B4814-5ESI-09
255266-01ESI 09

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