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CAS 1088965-37-0 3-Chloro-N-{(1S)-2-[(N,N-dimethylglycyl)amino]-1-[(4-{8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl}phenyl)methyl]ethyl}-4-[(1-methylethyl)oxy]benzamide molecular structure lightbox
CAS RN: 1088965-37-0

3-Chloro-N-{(1S)-2-[(N,N-dimethylglycyl)amino]-1-[(4-{8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl}phenyl)methyl]ethyl}-4-[(1-methylethyl)oxy]benzamide

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6 package records4 with current stock3 grade groups
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Batchno.20260625 5mg / 25mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS1088965-37-0
  • Purity/Analytical Methods: >99.0%
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1088965-37-0 / 3-chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide

GSK-923295 | GSK923295 | GSK-923295A

Standard CAS: 1088965-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1088965-37-0
Multi CAS
Yes
Molecular Formula
C32H38ClN5O4
Molecular Weight
592.100000
Exact Mass
591.261232
SMILES
C[C@@H](C1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)C[C@@H](CNC(=O)CN(C)C)NC(=O)C4=CC(=C(C=C4)OC(C)C)Cl)O
InChI
InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1
InChIKey
WHMXDBPHBVLYRC-OFVILXPXSA-N
Synonyms
GSK-923295 GSK923295 GSK-923295A GSK 923295 GSK-295

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
21
Fraction Csp3
0.34
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
3
Molar refractivity
165
TPSA
108.2

LogP / Solubility

WLOGP
4.51
MLOGP
4.02
XLogP3
5
Consensus LogP
4.51
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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