4153-0083 Screening compound: 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one

4153-0083 Screening compound: 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one
4153-0083 Screening compound: 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4153-0083
6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]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

4153-0083

Molecular Formula

C20H22N6O5 (C20 H22 N6 O5)

Compound Name

6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

6-[(34-dimethoxyphenyl)methyl]-3-[(2E)-2-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}hydrazin-1-yl]-25-dihydro-124-triazin-5-one

SMILES

Cc1ncc(CO)c(/C=N/NC(NN=C2Cc(cc3)cc(OC)c3OC)=NC2=O)c1O

InChI

InChI=1S/C20H22N6O5/c1-11-18(28)14(13(10-27)8-21-11)9-22-25-20-23-19(29)15(24-26-20)6-12-4-5-16(30-2)17(7-12)31-3/h4-5,7-9,27-28H,6,10H2,1-3H3,(H2,23,25,26,29)

InChI Key

HGYXNOSBGMJJPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02207985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.717

Distribution Coefficient, logD

1.659

Water Solubility, LogSw

-1.96

Polar Surface Area

125.769

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4153-0083 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4153-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4153-0083?
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What is the minimum amount of 4153-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4153-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4153-0083
  • 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 4153-0083 available by request