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DA-3934

CAT: 0931-T23946-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23946-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
183176-50-3
Target
Cholecystokinin Receptor, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
DA-3934 has a high affinity for gastrin/CCK-B receptors and high selectivity over CCK-A receptors. DA-3934 and its methyl ester derivative inhibited pentagastrin-induced gastric acid secretion in rats in a dose-dependent manner.
Smiles
N(CC(N(C)C1=CC=CC=C1)=O)(C(CNC(NC2=CC(CC(O)=O)=CC=C2)=O)=O)C3=C(OCC(N(C)C4=CC=CC=C4)=O)C=CC=C3
Molecular Formula
C35H35N5O7
Molecular Weight
637.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glycinamide, N-(((3-(carboxymethyl)phenyl)amino)carbonyl)glycyl-N-methyl-N2-(2-(2-(methylphenylamino)-2-oxoethoxy)phenyl)-N-phenyl-
CAS Number183176-50-3
PubChem CID72941738
IUPAC Name2-[3-[[2-[methyl-[2-(N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]anilino)acetyl]amino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
Molecular FormulaC35H35N5O7
Molecular Weight637.7
XLogP4.2
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count47
Formal Charge0
Complexity1060
SMILES
CN(C1=CC=CC=C1)C(=O)COC2=CC=CC=C2N(CC(=O)N(C)C(=O)CNC(=O)NC3=CC=CC(=C3)CC(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C35H35N5O7/c1-38(27-14-5-3-6-15-27)33(43)24-47-30-19-10-9-18-29(30)40(28-16-7-4-8-17-28)23-32(42)39(2)31(41)22-36-35(46)37-26-13-11-12-25(20-26)21-34(44)45/h3-20H,21-24H2,1-2H3,(H,44,45)(H2,36,37,46)
InChIKey
NDPHJNZMISFERB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycinamide, N-(((3-(carboxymethyl)phenyl)amino)carbonyl)glycyl-N-methyl-N2-(2-(2-(methylphenylamino)-2-oxoethoxy)phenyl)-N-phenyl-
CAS: 183176-50-3
CID: 72941738
Formula: C35H35N5O7
MW: 637.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight637.7
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass637.25364847
Monoisotopic Mass637.25364847
Topological Polar Surface Area149 Ų
Heavy Atom Count47
Formal Charge0
Complexity1060
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