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Compound 115-7c

CAT: 1106-ENZ-CHM471-0025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1106-ENZ-CHM471-0025Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
908074-72-6
Product Name Alternative
4- (5- ((Benzyloxycarbonyl) -4- (2,4-dichlorophenyl) -6-methyl-2-oxo-3,4-dihydropyrimidin-1 (2H) -yl) butanoic acid
Certification
RUO
Target
HSP70
Type
Activator
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥98% (TLC)
Solubility
Soluble in DMSO (20 mg/ml) .
Molecular Formula
C 23 H 22 Cl 2 N 2 O 5
Molecular Weight
477.34
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Appearance
Off-white solid.
Identity
Determined by NMR.

Chemical Information

4-[6-(2,4-Dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid

4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid is a carboxylic ester. It is functionally related to a benzyl alcohol.

CAS Number908074-72-6
PubChem CID5461551
IUPAC Name4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid
Molecular FormulaC23H22Cl2N2O5
Molecular Weight477.3
XLogP3.8
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity738
SMILES
CC1=C(C(NC(=O)N1CCCC(=O)O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H22Cl2N2O5/c1-14-20(22(30)32-13-15-6-3-2-4-7-15)21(17-10-9-16(24)12-18(17)25)26-23(31)27(14)11-5-8-19(28)29/h2-4,6-7,9-10,12,21H,5,8,11,13H2,1H3,(H,26,31)(H,28,29)
InChIKey
UHBVLBSCOSTTAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[6-(2,4-Dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid
CAS: 908074-72-6
CID: 5461551
Formula: C23H22Cl2N2O5
MW: 477.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.3
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass476.0905772
Monoisotopic Mass476.0905772
Topological Polar Surface Area95.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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