ML-336

CAT: 0931-T21900-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T21900-05Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1613465-33-0

Target

Others, Virus Protease

Related Pathways

Others, Microbiology/Virology

Purity

0.98

Bioactivity

ML-336 is an inhibitor of of the Venezuelan equine encephalitis virus (VEEV) strain TC-83.

Smiles

CN1CCN(C)\C(C1)=N/c1ccc(cc1C(=O)Nc1ccccc1)[N+]([O-])=O

Molecular Formula

C19H21N5O3

Molecular Weight

367.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide

has antiviral activity; structure in first source

CAS Number	1613465-33-0
PubChem CID	71301451
IUPAC Name	2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide
Molecular Formula	C19H21N5O3
Molecular Weight	367.4
XLogP	2.1
Topological Polar Surface Area	93.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	570

SMILES

CN1CCN(C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)C1)C

InChI

InChI=1S/C19H21N5O3/c1-22-10-11-23(2)18(13-22)21-17-9-8-15(24(26)27)12-16(17)19(25)20-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)

InChIKey

DCAMTBFFNOHDAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1613465-33-0

CID: 71301451

Formula: C19H21N5O3

MW: 367.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	367.4
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	367.16443955
Monoisotopic Mass	367.16443955
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	570
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

Related Products

Catalog	Name
T79874-01	CHK-336
T68238-01	MY 336-a
T24771-01	SCH-336
T28146-01	ND-336
T26145-01	RTI 336
T61491-01	(R) -ND-336
TP3621-01	Tat-AKAP79 (326-336)
TP1612-01	OVA sequence (323-336)
T83728-01	Tat-AKAP79 (326-336) TFA
T22990	ML-090

Alternative Products

Catalog	Name
MBS3613380-01	ML-336
M34024-01	SCH-336
MBS5810803	MY 336-a
MBS5775875	RTI 336
TRC-R701250-2.5MG	RTI-336
TRC-A535950-25G	Aliquat 336
GTR19196963-01	ND-336
GTR19230184-01	CHK-336
sc-56864	RARβ (336)

ML-336

Chemical Information

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