Products for Research Use Only
RegisterLogin

CMP98

CAT: 0013-GTR19189298Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19189298Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CMP98 is a PROTAC molecule containing two VHL-binding ligands but lacking efficacy in degrading VHL, making it a suitable negative control for compounds like CM11. It is used in vitro and in vivo to validate on-target PROTAC mechanisms in cancer and disease biology research.
CAS Number
2244684-50-0
Field of Research
Pharmacology & Drug Discovery
Smiles
C ([C@@H] (NC (COCCOCCOCCOCCOCCOCC (N[C@H] (C (=O) N1[C@H] (C (NCC2=CC=C (C=C2) C3=C (C) N=CS3) =O) C[C@H] (O) C1) [C@] (C) (C) C) =O) =O) [C@@] (C) (C) C) (=O) N4[C@H] (C (NCC5=CC=C (C=C5) C6=C (C) N=CS6) =O) C[C@H] (O) C4
Molecular Formula
C58H82N8O14S2
Molecular Weight
1179.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,4S)-4-Hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CAS Number2244684-50-0
PubChem CID134160243
IUPAC Name(2S,4S)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC58H82N8O14S2
Molecular Weight1179.5
XLogP3.6
Topological Polar Surface Area335
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count33
Heavy Atom Count82
Formal Charge0
Complexity1870
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)O
InChI
InChI=1S/C58H82N8O14S2/c1-37-49(81-35-61-37)41-13-9-39(10-14-41)29-59-53(71)45-27-43(67)31-65(45)55(73)51(57(3,4)5)63-47(69)33-79-25-23-77-21-19-75-17-18-76-20-22-78-24-26-80-34-48(70)64-52(58(6,7)8)56(74)66-32-44(68)28-46(66)54(72)60-30-40-11-15-42(16-12-40)50-38(2)62-36-82-50/h9-16,35-36,43-46,51-52,67-68H,17-34H2,1-8H3,(H,59,71)(H,60,72)(H,63,69)(H,64,70)/t43-,44-,45-,46-,51+,52+/m0/s1
InChIKey
WGJCHHJGGFCCRS-NFXWONMQSA-N
Chemical Structure
2D Structure
2D structure of (2S,4S)-4-Hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CAS: 2244684-50-0
CID: 134160243
Formula: C58H82N8O14S2
MW: 1179.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1179.5
XLogP33.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count33
Exact Mass1178.53919167
Monoisotopic Mass1178.53919167
Topological Polar Surface Area335 Ų
Heavy Atom Count82
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19175427-01CMP8

Alternative Products

CatalogName
HY-136257-01CMP98

Popular Products