4153-0043 Screening compound: 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one

4153-0043 Screening compound: 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one
4153-0043 Screening compound: 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4153-0043
6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(3,4-dimethoxyphenyl)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

4153-0043

Molecular Formula

C21H23N5O5 (C21 H23 N5 O5)

Compound Name

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

IUPAC name

6-[(34-dimethoxyphenyl)methyl]-3-[(2E)-2-[(34-dimethoxyphenyl)methylidene]hydrazin-1-yl]-25-dihydro-124-triazin-5-one

SMILES

COc(ccc(CC1=NNC(N/N=C/c(cc2)cc(OC)c2OC)=NC1=O)c1)c1OC

InChI

InChI=1S/C21H23N5O5/c1-28-16-7-5-13(10-18(16)30-3)9-15-20(27)23-21(26-24-15)25-22-12-14-6-8-17(29-2)19(11-14)31-4/h5-8,10-12H,9H2,1-4H3,(H2,23,25,26,27)

InChI Key

CLAWABVKOLLWNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.79

Polar Surface Area

98.721

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4153-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4153-0043
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for 4153-0043
  • 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 4153-0043 available by request