1981-1329 Screening compound: N'-[(2Z)-1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide

1981-1329 Screening compound: N'-[(2Z)-1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide
1981-1329 Screening compound: N'-[(2Z)-1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1329
N'-[(2Z)-1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)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

1981-1329

Molecular Formula

C13H11Cl3N6O4 (C13 H11 Cl3 N6 O4)

Compound Name

N'-[(2Z)-1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide

IUPAC name

N'-[(2Z)-1-(3-nitro-1H-124-triazol-1-yl)propan-2-ylidene]-2-(246-trichlorophenoxy)acetohydrazide

SMILES

C/C(/Cn(cn1)nc1[N+]([O-])=O)=N/NC(COc(c(Cl)cc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C13H11Cl3N6O4/c1-7(4-21-6-17-13(20-21)22(24)25)18-19-11(23)5-26-12-9(15)2-8(14)3-10(12)16/h2-3,6H,4-5H2,1H3,(H,19,23)

InChI Key

CYRFHNRSAQGCCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.53

Polar Surface Area

99.050

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1981-1329 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1981-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1981-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1981-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1329
  • 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 1981-1329 available by request