CAS RN: 1006378-90-0
p38 MAPK-IN-1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 2mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1006378-90-0
- Purity/Analytical Methods: >99.0%
1006378-90-0 / 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium
p38 MAPK-IN-1 | p38alpha-IN-4 | CHEMBL1916344
Basic Information
CAS
1006378-90-0
Multi CAS
No
Molecular Formula
C21H14F2N2O
Molecular Weight
348.300000
Exact Mass
348.107419
SMILES
CC1=CC=CC=C1C2=[N+](C=CC3=C(C=CN=C32)C4=C(C=C(C=C4)F)F)[O-]
InChI
InChI=1S/C21H14F2N2O/c1-13-4-2-3-5-15(13)21-20-18(9-11-25(21)26)16(8-10-24-20)17-7-6-14(22)12-19(17)23/h2-12H,1H3
InChIKey
BSZQSLWNMVTKJT-UHFFFAOYSA-N
Synonyms
p38 MAPK-IN-1
p38alpha-IN-4
CHEMBL1916344
p38 MAPK-IN-1?
p38 MAP Kinase Inhibitor XI
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
96.23
TPSA
39.83
LogP / Solubility
WLOGP
4.79
MLOGP
4.23
XLogP3
4
Consensus LogP
4.34
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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