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BRD6897

CAT: 0931-T30583-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30583-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
618395-82-7
Target
Mitochondrial Metabolism
Related Pathways
Metabolism
Purity
0.9774
Bioactivity
BRD6897 is a mitochondrial content inducer that increases the cellular content of mitochondria and induces a significant increase in the electron density of existing mitochondria.
Smiles
O=C1C2=C(N=C(SCC(=O)C=3C=4C=CC=CC4NC3C)N1C=5C=CC=CC5)SC(=C2C)C
Molecular Formula
C25H21N3O2S2
Molecular Weight
459.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,6-dimethyl-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS Number618395-82-7
PubChem CID1252659
IUPAC Name5,6-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Molecular FormulaC25H21N3O2S2
Molecular Weight459.6
XLogP6.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity768
SMILES
CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=C(NC4=CC=CC=C43)C)C5=CC=CC=C5)C
InChI
InChI=1S/C25H21N3O2S2/c1-14-16(3)32-23-21(14)24(30)28(17-9-5-4-6-10-17)25(27-23)31-13-20(29)22-15(2)26-19-12-8-7-11-18(19)22/h4-12,26H,13H2,1-3H3
InChIKey
VFJRXKOVRCXYFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-dimethyl-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS: 618395-82-7
CID: 1252659
Formula: C25H21N3O2S2
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass459.10751927
Monoisotopic Mass459.10751927
Topological Polar Surface Area119 Ų
Heavy Atom Count32
Formal Charge0
Complexity768
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

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