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NSC309401

CAT: 0013-GTR19230147-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230147-01Size:5 mg
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Description
NSC309401 is a potent small molecule inhibitor of E. coli dihydrofolate reductase (DHFR), exhibiting an IC50 of 189 nM and a KD of 14.57 nM. This compound serves as a valuable research tool for studying bacterial folate metabolism and antibiotic resistance mechanisms in both biochemical and cellular assays.
CAS Number
750522-61-3
Field of Research
Infectious Disease & Virology
Smiles
C (N1C2=C (C=3C (C=C2) =NC (N) =NC3N) C=C1) C4=CC=C (N) C=C4
Molecular Formula
C17H16N6
Molecular Weight
304.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7H-Pyrrolo(3,2-f)quinazoline-1,3-diamine, 7-((4-aminophenyl)methyl)-
CAS Number750522-61-3
PubChem CID432465
IUPAC Name7-[(4-aminophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Molecular FormulaC17H16N6
Molecular Weight304.3
XLogP1.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity410
SMILES
C1=CC(=CC=C1CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N)N
InChI
InChI=1S/C17H16N6/c18-11-3-1-10(2-4-11)9-23-8-7-12-14(23)6-5-13-15(12)16(19)22-17(20)21-13/h1-8H,9,18H2,(H4,19,20,21,22)
InChIKey
LNEWNMFMWDBAKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7H-Pyrrolo(3,2-f)quinazoline-1,3-diamine, 7-((4-aminophenyl)methyl)-
CAS: 750522-61-3
CID: 432465
Formula: C17H16N6
MW: 304.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.3
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass304.14364454
Monoisotopic Mass304.14364454
Topological Polar Surface Area109 Ų
Heavy Atom Count23
Formal Charge0
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-156859ANSC309401
HY-156859NSC309401 (dihydrochloride)
T81639-01NSC309401 dihydrochloride

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