CAS RN: 2163793-38-0
PROTAC Mcl1 degrader-1
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250826 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250911 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260430 | 1mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260330 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251205 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250709 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260518 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2163793-38-0
- Purity/Analytical Methods: >99.0%
2163793-38-0 / N'-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]hexanediamide
Basic Information
CAS
2163793-38-0
Multi CAS
No
Molecular Formula
C45H45BrN6O8S
Molecular Weight
909.800000
Exact Mass
908.220300
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCNC(=O)CCCCC(=O)NCCN4C(=O)C5=C6C(=C(C=C5)SC7=CC=C(C=C7)Br)C=CC=C6C4=O
InChI
InChI=1S/C45H45BrN6O8S/c46-27-15-17-28(18-16-27)61-35-21-19-32-39-29(35)9-7-10-30(39)42(57)51(43(32)58)26-25-49-37(54)14-4-3-13-36(53)48-24-6-2-1-5-23-47-33-12-8-11-31-40(33)45(60)52(44(31)59)34-20-22-38(55)50-41(34)56/h7-12,15-19,21,34,47H,1-6,13-14,20,22-26H2,(H,48,53)(H,49,54)(H,50,55,56)
InChIKey
BORXNUWYWZOREQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
22
Fraction Csp3
0.33
Rotatable bonds
19
H-bond acceptors
10
H-bond donors
4
Molar refractivity
232.14
TPSA
191.16
LogP / Solubility
WLOGP
6.22
MLOGP
5.56
XLogP3
6
Consensus LogP
5.93
Log S (ESOL)
-8.41
Class (ESOL)
Insoluble
Log S (Ali)
-11.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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