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CAS 1089283-49-7 GSK1904529A molecular structure lightbox
CAS RN: 1089283-49-7

GSK1904529A

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8 package records7 with current stock4 grade groups
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  • Product code: SSC-010129
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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
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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 1089283-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1089283-49-7 / N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide

DTXSID70648776 | N-(2,6-Difluorophenyl)-5-(3-(2-(5-ethyl-4-(4-(4-(methanesulfonyl)piperazin-1-yl)piperidin-1-yl)-2-methoxyanilino)pyrimidin-4-yl)imidazo(1,2-a)pyridin-2-yl)-2-methoxybenzamide | N-(2,6-Difluorophenyl)-5-{3-[2-(5-ethyl-4-{4-[4-(methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl}-2-methoxybenzamide

Standard CAS: 1089283-49-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1089283-49-7
Multi CAS
Yes
Molecular Formula
C44H47F2N9O5S
Molecular Weight
852.000000
Exact Mass
851.338893
SMILES
CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F
InChI
InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
InChIKey
MOSKATHMXWSZTQ-UHFFFAOYSA-N
Synonyms
DTXSID70648776 N-(2,6-Difluorophenyl)-5-(3-(2-(5-ethyl-4-(4-(4-(methanesulfonyl)piperazin-1-yl)piperidin-1-yl)-2-methoxyanilino)pyrimidin-4-yl)imidazo(1,2-a)pyridin-2-yl)-2-methoxybenzamide N-(2,6-Difluorophenyl)-5-{3-[2-(5-ethyl-4-{4-[4-(methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyanilino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl}-2-methoxybenzamide RefChem:1090882 DTXCID60599526

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
33
Fraction Csp3
0.32
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
2
Molar refractivity
231.4
TPSA
146.53

LogP / Solubility

WLOGP
6.86
MLOGP
6.11
XLogP3
6.8
Consensus LogP
6.59
Log S (ESOL)
-9.05
Class (ESOL)
Insoluble
Log S (Ali)
-11.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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