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PROTAC-O4I2

CAT: 0127-BUP07385-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07385-03Size:25 mg
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CAS Number
2785323-62-6
Purity
=95%
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=CC2NCCCCCCNC(=O)C=4N=C(NC5=CC=C(Cl)C=C5)SC4

Chemical Information

Protac-O4I2

PROTAC-O4I2 is an organic molecular entity.

CAS Number2785323-62-6
PubChem CID162641046
IUPAC Name2-(4-chloroanilino)-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1,3-thiazole-4-carboxamide
Molecular FormulaC29H29ClN6O5S
Molecular Weight609.1
XLogP4.9
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity1030
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCNC(=O)C4=CSC(=N4)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H29ClN6O5S/c30-17-8-10-18(11-9-17)33-29-34-21(16-42-29)25(38)32-15-4-2-1-3-14-31-20-7-5-6-19-24(20)28(41)36(27(19)40)22-12-13-23(37)35-26(22)39/h5-11,16,22,31H,1-4,12-15H2,(H,32,38)(H,33,34)(H,35,37,39)
InChIKey
UWYLVQJEOCYCEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Protac-O4I2
CAS: 2785323-62-6
CID: 162641046
Formula: C29H29ClN6O5S
MW: 609.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.1
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass608.1608669
Monoisotopic Mass608.1608669
Topological Polar Surface Area178 Ų
Heavy Atom Count42
Formal Charge0
Complexity1030
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

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Alternative Products

CatalogName
BA2779-5.1PROTAC-O4I2
522505O4I2

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