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Chemistry
Organic Building Blocks
Bromides
Methyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Chemistry
Inhibitors/Agonists
Organic Building Blocks
Heterocyclic Building Blocks Stapled Peptide
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Esters Other Aromatic Heterocycles PKA/AKAP (stapled peptide)

[ CAS No. 1190319-82-4 ]

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

type HazMat fee
Excepted Quantity Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
Accessible (Haz class 3, 4, 5 or 8), International USD 133.00
3d Animation Molecule Structure of 1190319-82-4
Chemical Structure| 1190319-82-4
Chemical Structure| 1190319-82-4
Structure of 1190319-82-4 * Storage: {[proInfo.prStorage]}
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For Research Only 88K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 1190319-82-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1190319-82-4 ]

SDS
Alternatived Products of [ 1190319-82-4 ]

Product Details of [ 1190319-82-4 ]

CAS No. :1190319-82-4 MDL No. :MFCD12962575
Formula : C9H7BrN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :255.07 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 1190319-82-4 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.11
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 55.07
TPSA : 54.98 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.95
Log Po/w (XLOGP3) : 1.86
Log Po/w (WLOGP) : 2.11
Log Po/w (MLOGP) : 1.62
Log Po/w (SILICOS-IT) : 2.51
Consensus Log Po/w : 2.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.94
Solubility : 0.295 mg/ml ; 0.00116 mol/l
Class : Soluble
Log S (Ali) : -2.64
Solubility : 0.59 mg/ml ; 0.00231 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.84
Solubility : 0.0365 mg/ml ; 0.000143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.82

Safety of [ 1190319-82-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:Ⅲ
GHS Pictogram:

Tags: 1190319-82-4 synthesis path| 1190319-82-4 SDS| 1190319-82-4 COA| 1190319-82-4 purity| 1190319-82-4 application| 1190319-82-4 NMR| 1190319-82-4 COA| 1190319-82-4 structure

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[ 1190319-82-4 ]

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Related Parent Nucleus of
[ 1190319-82-4 ]

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