[email protected]
CAS 2222635-15-4 DCLK1-IN-1 molecular structure lightbox
CAS RN: 2222635-15-4

DCLK1-IN-1

Product Availability

Choose a grade to view its available package options.

12 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251010 100mg In stock Shanghai Inquiry
Batchno.20250112 10mg In stock Shanghai Inquiry
Batchno.20250112 1g In stock Shanghai Inquiry
Batchno.20251016 250mg In stock Shanghai Inquiry
Batchno.20260309 25mg In stock Shanghai Inquiry
Batchno.20251018 50mg In stock Shanghai Inquiry
Batchno.20260524 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260318 10mg In stock Inquiry
Batchno.20250324 25mg In stock Inquiry
Batchno.20260424 50mg Out of stock Inquiry
Batchno.20260324 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260105 1ml In stock Inquiry
  • Product code: SSC-106887
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 2222635-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2222635-15-4 / 2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5-(2,2,2-trifluoroethyl)pyrimido[4,5-b][1,4]benzodiazepin-6-one

Standard CAS: 2222635-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2222635-15-4
Multi CAS
No
Molecular Formula
C26H28F3N7O2
Molecular Weight
527.500000
Exact Mass
527.225658
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4CC(F)(F)F)C)OC
InChI
InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32)
InChIKey
OQFCHSFVWSLDAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
140.26
TPSA
77.07

LogP / Solubility

WLOGP
4.27
MLOGP
3.8
XLogP3
4.2
Consensus LogP
4.09
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us