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UPCDC30766

CAT: 0931-T79255-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T79255-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2152623-68-0
Target
P97
Related Pathways
Ubiquitination
Bioactivity
UPCDC30766, a potent allosteric inhibitor of p97, exhibits an IC50 of 12 nM and is applicable for colon cancer research [1].
Smiles
O=C(OCC#CC1=CC(F)=C(OCC2=NN=C(SC3C=CCCC3)N2C=4C=NC=CC4)C=C1F)NC5CCN(C)CC5
Molecular Formula
C30H32F2N6O3S
Molecular Weight
594.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Upcdc30766
CAS Number2152623-68-0
PubChem CID168432141
IUPAC Name3-[4-[[5-[(1R)-cyclohex-2-en-1-yl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methoxy]-2,5-difluorophenyl]prop-2-ynyl N-(1-methylpiperidin-4-yl)carbamate
Molecular FormulaC30H32F2N6O3S
Molecular Weight594.7
XLogP4.5
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity973
SMILES
CN1CCC(CC1)NC(=O)OCC#CC2=CC(=C(C=C2F)OCC3=NN=C(N3C4=CN=CC=C4)S[C@@H]5CCCC=C5)F
InChI
InChI=1S/C30H32F2N6O3S/c1-37-14-11-22(12-15-37)34-30(39)40-16-6-7-21-17-26(32)27(18-25(21)31)41-20-28-35-36-29(42-24-9-3-2-4-10-24)38(28)23-8-5-13-33-19-23/h3,5,8-9,13,17-19,22,24H,2,4,10-12,14-16,20H2,1H3,(H,34,39)/t24-/m0/s1
InChIKey
YBCFFJLDKVTSPF-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Upcdc30766
CAS: 2152623-68-0
CID: 168432141
Formula: C30H32F2N6O3S
MW: 594.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.7
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass594.22246640
Monoisotopic Mass594.22246640
Topological Polar Surface Area120 Ų
Heavy Atom Count42
Formal Charge0
Complexity973
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

Alternative Products

CatalogName
HY-155026-01UPCDC30766

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