4153-0059 Screening compound: 6-benzyl-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one

4153-0059 Screening compound: 6-benzyl-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one
4153-0059 Screening compound: 6-benzyl-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4153-0059
6-benzyl-3-[(2E)-2-[(4-methoxyphenyl)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

4153-0059

Molecular Formula

C18H17N5O2 (C18 H17 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(/C=N/NC(NN=C2Cc3ccccc3)=NC2=O)cc1

InChI

InChI=1S/C18H17N5O2/c1-25-15-9-7-14(8-10-15)12-19-22-18-20-17(24)16(21-23-18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,22,23,24)

InChI Key

BBMLIVOTBGRGQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00717316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.18

Polar Surface Area

75.743

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4153-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4153-0059?
Check Price and Availability of 4153-0059, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4153-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4153-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4153-0059
  • 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 4153-0059 available by request