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CPD2028

CAT: 0013-GTR19165894-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165894-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CPD2028
CAS Number
2131091-31-9
Product Name Alternative
CPD2028, CPD-2028, CPD 2028
Purity
98.62% (May vary between batches)
Solubility
DMSO:9 mg/mL (22.99 mM)
Smiles
Cc1c (sc2[nH]c (=O) n (c (=O) c12) C (C) (C) C (=O) OC (C) (C) C) -c1ncco1
Molecular Formula
C18H21N3O5S
Molecular Weight
391.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tert-butyl 2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate
CAS Number2131091-31-9
PubChem CID130433756
IUPAC Nametert-butyl 2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate
Molecular FormulaC18H21N3O5S
Molecular Weight391.4
XLogP2.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity647
SMILES
CC1=C(SC2=C1C(=O)N(C(=O)N2)C(C)(C)C(=O)OC(C)(C)C)C3=NC=CO3
InChI
InChI=1S/C18H21N3O5S/c1-9-10-13(27-11(9)12-19-7-8-25-12)20-16(24)21(14(10)22)18(5,6)15(23)26-17(2,3)4/h7-8H,1-6H3,(H,20,24)
InChIKey
YQKKPOHWXWJHFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate
CAS: 2131091-31-9
CID: 130433756
Formula: C18H21N3O5S
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass391.12019195
Monoisotopic Mass391.12019195
Topological Polar Surface Area130 Ų
Heavy Atom Count27
Formal Charge0
Complexity647
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

Alternative Products

CatalogName
M22744-01CPD2028

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