1981-1310 Screening compound: N'-[(2Z)-1-(5-nitro-2H-1,2,3,4-tetrazol-2-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide

1981-1310 Screening compound: N'-[(2Z)-1-(5-nitro-2H-1,2,3,4-tetrazol-2-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide
1981-1310 Screening compound: N'-[(2Z)-1-(5-nitro-2H-1,2,3,4-tetrazol-2-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1310
N'-[(2Z)-1-(5-nitro-2H-1,2,3,4-tetrazol-2-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

1981-1310

Molecular Formula

C12H10Cl3N7O4 (C12 H10 Cl3 N7 O4)

Compound Name

N'-[(2Z)-1-(5-nitro-2H-1,2,3,4-tetrazol-2-yl)propan-2-ylidene]-2-(2,4,6-trichlorophenoxy)acetohydrazide

IUPAC name

N'-[(2Z)-1-(5-nitro-2H-1234-tetrazol-2-yl)propan-2-ylidene]-2-(246-trichlorophenoxy)acetohydrazide

SMILES

C/C(/Cn1nnc([N+]([O-])=O)n1)=N/NC(COc(c(Cl)cc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C12H10Cl3N7O4/c1-6(4-21-19-12(18-20-21)22(24)25)16-17-10(23)5-26-11-8(14)2-7(13)3-9(11)15/h2-3H,4-5H2,1H3,(H,17,23)

InChI Key

NXKWOORBBOQNKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.648

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-3.52

Polar Surface Area

113.337

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1981-1310 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 1981-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1981-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1981-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1310
  • 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 1981-1310 available by request