CAS RN: 1408064-71-0
JNK inhibitor
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 100mg | Out of stock | Inquiry | |
| Batchno.20260620 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250518 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260216 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260410 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20260701 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260116 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-051305
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: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1408064-71-0 / 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Basic Information
CAS
1408064-71-0
Multi CAS
No
Molecular Formula
C28H27N7O2
Molecular Weight
493.600000
Exact Mass
493.222623
SMILES
CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
InChIKey
RADRIIWGHYFWPP-WEVVVXLNSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
3
Molar refractivity
145.71
TPSA
112.14
LogP / Solubility
WLOGP
4.59
MLOGP
4.08
XLogP3
3
Consensus LogP
3.89
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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