CAS RN: 1034189-82-6
p38α inhibitor 1
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250716 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1034189-82-6
- Purity/Analytical Methods: >99.0%
1034189-82-6 / 5-(2,4-difluorophenoxy)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)indazole-6-carboxamide
ARRY-797 | ARRY-371797 | RefChem:114167
Basic Information
CAS
1034189-82-6
Multi CAS
No
Molecular Formula
C22H26F2N4O2
Molecular Weight
416.500000
Exact Mass
416.202382
SMILES
CC(C)CN1C2=CC(=C(C=C2C=N1)OC3=C(C=C(C=C3)F)F)C(=O)NCCN(C)C
InChI
InChI=1S/C22H26F2N4O2/c1-14(2)13-28-19-11-17(22(29)25-7-8-27(3)4)21(9-15(19)12-26-28)30-20-6-5-16(23)10-18(20)24/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,25,29)
InChIKey
IFGWYHGYNVGVRB-UHFFFAOYSA-N
Synonyms
ARRY-797
ARRY-371797
RefChem:114167
-(2,4-difluorophenoxy)-N-(2-(dimethylamino)ethyl)-1-(2-methylpropyl)indazole-6-carboxamide
p38alpha inhibitor 1
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
111.89
TPSA
59.39
LogP / Solubility
WLOGP
4.05
MLOGP
3.59
XLogP3
3.9
Consensus LogP
3.85
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.69
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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