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YD54

CAT: 0931-T201344-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T201344-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2951015-30-6
Target
PROTACs
Related Pathways
PROTAC
Bioactivity
YD54 is a PROTAC degrader targeting SMARCA2, exhibiting a DC50 of 3.5 nM.
Smiles
O=C1C=2C=CC=C(OCCN3CCN(C4=CC=C(C=C4F)CN5CCN(C=6C=C(N=NC6N)C7=CC=CC=C7O)CC5)CC3)C2C(=O)N1C8C(=O)NC(=O)CC8
Molecular Formula
C40H42FN9O6
Molecular Weight
763.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2-(4-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenyl)piperazin-1-yl)ethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS Number2951015-30-6
PubChem CID168968806
IUPAC Name4-[2-[4-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-2-fluorophenyl]piperazin-1-yl]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC40H42FN9O6
Molecular Weight763.8
XLogP2.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count56
Formal Charge0
Complexity1410
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCN4CCN(CC4)C5=C(C=C(C=C5)CN6CCN(CC6)C7=CC(=NN=C7N)C8=CC=CC=C8O)F
InChI
InChI=1S/C40H42FN9O6/c41-28-22-25(24-47-14-18-49(19-15-47)32-23-29(44-45-37(32)42)26-4-1-2-6-33(26)51)8-9-30(28)48-16-12-46(13-17-48)20-21-56-34-7-3-5-27-36(34)40(55)50(39(27)54)31-10-11-35(52)43-38(31)53/h1-9,22-23,31,51H,10-21,24H2,(H2,42,45)(H,43,52,53)
InChIKey
WBWCGTJXNCHFJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(4-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)-2-fluorophenyl)piperazin-1-yl)ethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CAS: 2951015-30-6
CID: 168968806
Formula: C40H42FN9O6
MW: 763.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight763.8
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass763.32420826
Monoisotopic Mass763.32420826
Topological Polar Surface Area178 Ų
Heavy Atom Count56
Formal Charge0
Complexity1410
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

Alternative Products

CatalogName
GTR19239546-01YD54

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