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1008675-41-9,MFCD04064782
Catalog No.:AA0002YT
1008675-41-9 | N-4-Quinazolinylnorvaline
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1g
95%
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$74.00   $52.00
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5g
95%
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$212.00   $148.00
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Technical Information
Catalog Number:
AA0002YT
Chemical Name:
N-4-Quinazolinylnorvaline
CAS Number:
1008675-41-9
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD04064782
IUPAC Name:
2-(quinazolin-4-ylamino)pentanoic acid
InChI:
InChI=1S/C13H15N3O2/c1-2-5-11(13(17)18)16-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)(H,14,15,16)
InChI Key:
QNGCVTKJHOBMQR-UHFFFAOYSA-N
SMILES:
CCC[C@@H](C(=O)O)Nc1ncnc2c1cccc2
Properties
Computed Properties
 
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
2-(quinazolin-4-ylamino)pentanoic Acid 
N-4-QUINAZOLINYLNORVALINE 
2-(4-quinazolinylamino)pentanoic acid 
AKOS000272950 
AKOS016040497 
IMED600582485 
CCG-115164 
MCULE-5793310423 
Y-1168 
SR-01000112757 
SR-01000112757-1 
CID3356607 
1008675-41-9 
AC1MNPUO 
2-[(quinazolin-4-yl)amino]pentanoic acid 
Oprea1_602094 
HMS1615F14 
ZX-CM017423 
MFCD04064782 
SBB015749 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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