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ZAP-180013

CAT: 0957-E0437-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E0437-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
873080-25-2
Target
Syk
Applications
Protein Tyrosine Kinase
Molecular Formula
C19H17Cl2N3O4S
Additionnal Information
ZAP-180013 is a inhibitor of zeta-chain-associated protein kinase 70 (ZAP-70) with an IC50 of 1.8 μM.
Storage Conditions
3 years -20°C powder

Chemical Information

5-chloro-N-(4-chlorobenzyl)-2-(ethylsulfonyl)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CAS Number873080-25-2
PubChem CID2988718
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]-2-ethylsulfonyl-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
Molecular FormulaC19H17Cl2N3O4S
Molecular Weight454.3
XLogP3.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity652
SMILES
CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)Cl)CC3=CC=CO3)Cl
InChI
InChI=1S/C19H17Cl2N3O4S/c1-2-29(26,27)19-22-10-16(21)17(23-19)18(25)24(12-15-4-3-9-28-15)11-13-5-7-14(20)8-6-13/h3-10H,2,11-12H2,1H3
InChIKey
GTWKIPDKVRLUKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-chloro-N-(4-chlorobenzyl)-2-(ethylsulfonyl)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CAS: 873080-25-2
CID: 2988718
Formula: C19H17Cl2N3O4S
MW: 454.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight454.3
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass453.0316826
Monoisotopic Mass453.0316826
Topological Polar Surface Area102 Ų
Heavy Atom Count29
Formal Charge0
Complexity652
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