1761-1802 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide

1761-1802 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide
1761-1802 Screening compound: N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1761-1802
N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1761-1802

Molecular Formula

C13H15N7O3 (C13 H15 N7 O3)

Compound Name

N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide

IUPAC name

N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-2-(3-nitro-1H-124-triazol-1-yl)acetohydrazide

SMILES

CN(C)c1ccc(/C=N/NC(Cn(cn2)nc2[N+]([O-])=O)=O)cc1

InChI

InChI=1S/C13H15N7O3/c1-18(2)11-5-3-10(4-6-11)7-15-16-12(21)8-19-9-14-13(17-19)20(22)23/h3-7,9H,8H2,1-2H3,(H,16,21)

InChI Key

YMCASSZKODPBTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.980

Distribution Coefficient, logD

0.980

Water Solubility, LogSw

-2.41

Polar Surface Area

94.813

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 1761-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1761-1802?
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What is the minimum amount of 1761-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1761-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1761-1802
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1761-1802 available by request