[email protected]
CAS 2097971-11-2 E3 ligase Ligand-Linker Conjugates 5 molecular structure lightbox
CAS RN: 2097971-11-2

E3 ligase Ligand-Linker Conjugates 5

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250706 10mg In stock Shanghai, Shandong Inquiry
Batchno.20251019 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250922 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260614 1g In stock Shanghai Inquiry
Batchno.20251213 250mg In stock Tianjin Inquiry
Batchno.20251001 50mg In stock Wuhan Inquiry
Batchno.20250925 5g Out of stock Inquiry
  • Product code: SSC-099629
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2097971-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2097971-11-2 / (2S,4R)-1-[(2S)-2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Standard CAS: 2097971-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097971-11-2
Multi CAS
No
Molecular Formula
C30H46ClN5O7S
Molecular Weight
656.200000
Exact Mass
655.280648
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)COCCOCCOCCN)O.Cl
InChI
InChI=1S/C30H45N5O7S.ClH/c1-20-26(43-19-33-20)22-7-5-21(6-8-22)16-32-28(38)24-15-23(36)17-35(24)29(39)27(30(2,3)4)34-25(37)18-42-14-13-41-12-11-40-10-9-31;/h5-8,19,23-24,27,36H,9-18,31H2,1-4H3,(H,32,38)(H,34,37);1H/t23-,24+,27-;/m1./s1
InChIKey
ZOYHUTRHKHRRPK-QVRKWNSCSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
4
Molar refractivity
170.4
TPSA
165.34

LogP / Solubility

WLOGP
1.66
MLOGP
1.51
XLogP3
1.66
Consensus LogP
1.61
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us