4153-0056 Screening compound: 6-benzyl-3-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one

4153-0056 Screening compound: 6-benzyl-3-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one
4153-0056 Screening compound: 6-benzyl-3-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4153-0056
6-benzyl-3-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one

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

4153-0056

Molecular Formula

C17H14N6O3 (C17 H14 N6 O3)

Compound Name

6-benzyl-3-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

6-benzyl-3-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-25-dihydro-124-triazin-5-one

SMILES

[O-][N+](c1ccc(/C=N/NC(NN=C2Cc3ccccc3)=NC2=O)cc1)=O

InChI

InChI=1S/C17H14N6O3/c24-16-15(10-12-4-2-1-3-5-12)20-22-17(19-16)21-18-11-13-6-8-14(9-7-13)23(25)26/h1-9,11H,10H2,(H2,19,21,22,24)

InChI Key

ITYLJGHZSGZYND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00717313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.13

Polar Surface Area

101.581

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 4153-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4153-0056?
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What is the minimum amount of 4153-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4153-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4153-0056
  • 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 4153-0056 available by request