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AR-C155858

CAT: 0572-TRC-A187720-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A187720-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
496791-37-8
Hazard Statement
No Data Available
Smiles
CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)n[nH]c3C)c2C(=O)N4C[C@H](O)CO4
Molecular Formula
C21 H27 N5 O5 S
Molecular Weight
461.535
InChI
InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
Additionnal Information
IUPAC name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
Shipping Conditions
Room Temperature

Chemical Information

AR-C155858

AR-C155858 is an organic molecular entity. It has a role as an inhibitor.

CAS Number496791-37-8
PubChem CID10226546
IUPAC Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
Molecular FormulaC21H27N5O5S
Molecular Weight461.5
XLogP1.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity769
SMILES
CC1=C(C(=NN1)C)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)CC(C)C)C(=O)N4C[C@@H](CO4)O
InChI
InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
InChIKey
ISIVOJWVBJIOFM-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of AR-C155858
CAS: 496791-37-8
CID: 10226546
Formula: C21H27N5O5S
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass461.17329015
Monoisotopic Mass461.17329015
Topological Polar Surface Area147 Ų
Heavy Atom Count32
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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406431AR-C155858
A11293-50AR-C155858 50mg

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