Cmpd 339509

CAT: 0931-T25267-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T25267-03Size:100 mg

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CAS Number

461431-74-3

Target

Others

Related Pathways

Others

Bioactivity

Cmpd 339509 is a DprE1 inhibitor. DprE1 is an epimerase required for cell wall biosynthesis.

Smiles

O(C1=NC(N(=O)=O)=NN1C)C2=CC=C(C(C)(C)C)C=C2

Molecular Formula

C13H16N4O3

Molecular Weight

276.29

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-(4-Tert-butylphenoxy)-1-methyl-3-nitro-1,2,4-triazole

CAS Number	461431-74-3
PubChem CID	751550
IUPAC Name	5-(4-tert-butylphenoxy)-1-methyl-3-nitro-1,2,4-triazole
Molecular Formula	C13H16N4O3
Molecular Weight	276.29
XLogP	3.7
Topological Polar Surface Area	85.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	345

SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC(=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3/c1-13(2,3)9-5-7-10(8-6-9)20-12-14-11(17(18)19)15-16(12)4/h5-8H,1-4H3

InChIKey

HJDFBULFYOIQIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 461431-74-3

CID: 751550

Formula: C13H16N4O3

MW: 276.29

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	276.29
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	276.12224039
Monoisotopic Mass	276.12224039
Topological Polar Surface Area	85.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	345
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TQ0114-01	CMPDA
T14988-01	CMPD1
T37293	CMPI hydrochloride
T10850-01	CMP-5
T39771	NAChR agonist CMPI hydrochloride
TSW-01099-01	2'-F-CMP

Alternative Products

Catalog	Name
GTR19199349-01	Cmpd 339509
MBS5813168	Cmpd-A
HY-141659-01	CMPD-39
GTR17966930	CmpD Antibody
B6962-50	CMPD-1
A16040-5	CMPD-1 5mg
A16040-50	CMPD-1 50mg
A16040-1	CMPD-1 1mg
HY-141659A-01	(R) -CMPD-39
A16040-500	CMPD-1 500mg

Cmpd 339509

Chemical Information

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