[email protected]
CAS 2095244-42-9 E3 ligase Ligand 12 molecular structure lightbox
CAS RN: 2095244-42-9

E3 ligase Ligand 12

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250525 25mg / 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250224 100mg In stock Shanghai Inquiry
Batchno.20251105 10mg In stock Shanghai Inquiry
Batchno.20250524 1g In stock Shanghai Inquiry
Batchno.20250915 250mg In stock Shanghai Inquiry
Batchno.20250325 25mg In stock Shanghai Inquiry
Batchno.20260124 50mg In stock Shanghai Inquiry
  • Product code: SSC-099282
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: 0.25g
  • Available purity: ＞97%
  • 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 2095244-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

2095244-42-9 / tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3-hydroxybenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

Standard CAS: 2095244-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2095244-42-9
Multi CAS
No
Molecular Formula
C31H42N4O6S
Molecular Weight
598.800000
Exact Mass
598.282506
SMILES
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC(=CC=C4)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C31H42N4O6S/c1-19(34(5)30(40)41-31(2,3)4)27(38)33-25(20-11-7-6-8-12-20)29(39)35-16-10-15-24(35)28-32-23(18-42-28)26(37)21-13-9-14-22(36)17-21/h9,13-14,17-20,24-25,36H,6-8,10-12,15-16H2,1-5H3,(H,33,38)/t19-,24-,25-/m0/s1
InChIKey
SPXBMEKMIPOEMC-LQGLAIQGSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
11
Fraction Csp3
0.58
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
159.31
TPSA
129.14

LogP / Solubility

WLOGP
5.06
MLOGP
4.5
XLogP3
5.2
Consensus LogP
4.92
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us