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Dpre1-in-1

CAS No.:
1494675-86-3
Catalog Number:
AG001LPW
Molecular Formula:
C18H21N5O3
Molecular Weight:
355.3910
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$168
- +
25mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$404
- +
100mg
99%
1 week
United States
$654
- +
Product Description
Catalog Number:
AG001LPW
Chemical Name:
Dpre1-in-1
CAS Number:
1494675-86-3
Molecular Formula:
C18H21N5O3
Molecular Weight:
355.3910
MDL Number:
MFCD29477419
IUPAC Name:
N-(2-hydroxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
InChI:
InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
InChI Key:
VDRYGTNDKXIPSK-UHFFFAOYSA-N
SMILES:
OCCNC(=O)c1cn(c2c1ncc(c2)C)Cc1ncnc(c1C)OC
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.164g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
355.398g/mol
Monoisotopic Mass:
355.164g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Azaindoles: noncovalent DprE1 inhibitors from scaffold morphing efforts, kill Mycobacterium tuberculosis and are efficacious in vivo. Journal of medicinal chemistry 20131212
Preparations and properties of ribonucleic acid polymerase from Acinetobacter calcoaceticus. Journal of bacteriology 19760201
Properties