Products for Research Use Only
RegisterLogin

SJ995973

CAT: 0013-GTR19244534-02Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19244534-02Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
SJ995973 (PROTAC) is a uniquely potent degrader ofbromodomain and extra-terminal (BET) proteins.
CAS Number
2882065-25-8
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (136.93 mM; Ultrasonic)
Smiles
CC=1C2=C (N3C ([C@H] (CC (NCCCCCNC (COC4=CC=C (C=C4) C5C (=O) NC (=O) CC5) =O) =O) N=C2C6=CC=C (Cl) C=C6) =NN=C3C) SC1C
Molecular Formula
C37H40ClN7O5S
Molecular Weight
730.28
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-((S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(5-(2-(4-(2,6-dioxopiperidin-3-yl)phenoxy)acetamido)pentyl)acetamide
CAS Number2882065-25-8
PubChem CID162641697
IUPAC Name2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]pentyl]acetamide
Molecular FormulaC37H40ClN7O5S
Molecular Weight730.3
XLogP4.5
Topological Polar Surface Area185
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count51
Formal Charge0
Complexity1280
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCCNC(=O)COC4=CC=C(C=C4)C5CCC(=O)NC5=O)C6=CC=C(C=C6)Cl)C
InChI
InChI=1S/C37H40ClN7O5S/c1-21-22(2)51-37-33(21)34(25-7-11-26(38)12-8-25)41-29(35-44-43-23(3)45(35)37)19-31(47)39-17-5-4-6-18-40-32(48)20-50-27-13-9-24(10-14-27)28-15-16-30(46)42-36(28)49/h7-14,28-29H,4-6,15-20H2,1-3H3,(H,39,47)(H,40,48)(H,42,46,49)/t28?,29-/m0/s1
InChIKey
VVRONDSUSMJAEI-XIJSCUBXSA-N
Chemical Structure
2D Structure
2D structure of 2-((S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(5-(2-(4-(2,6-dioxopiperidin-3-yl)phenoxy)acetamido)pentyl)acetamide
CAS: 2882065-25-8
CID: 162641697
Formula: C37H40ClN7O5S
MW: 730.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight730.3
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass729.2500163
Monoisotopic Mass729.2500163
Topological Polar Surface Area185 Ų
Heavy Atom Count51
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5819604SJ995973
A24000-10SJ995973 10mg
A24000-5SJ995973 5mg
A24000-50SJ995973 50mg
A24000-1SJ995973 1mg

Popular Products