8014-0176 Screening compound: 1-({(E)-2-[6-(tert-butyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]hydrazono}methyl)-2-naphthyl 2-methoxybenzoate

8014-0176 Screening compound: 1-({(E)-2-[6-(tert-butyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]hydrazono}methyl)-2-naphthyl 2-methoxybenzoate
8014-0176 Screening compound: 1-({(E)-2-[6-(tert-butyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]hydrazono}methyl)-2-naphthyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0176
1-({(E)-2-[6-(tert-butyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]hydrazono}methyl)-2-naphthyl 2-methoxybenzoate

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

8014-0176

Molecular Formula

C26H25N5O4 (C26 H25 N5 O4)

Compound Name

1-({(E)-2-[6-(tert-butyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]hydrazono}methyl)-2-naphthyl 2-methoxybenzoate

IUPAC name

1-[(E)-[2-(6-tert-butyl-5-oxo-45-dihydro-124-triazin-3-yl)hydrazin-1-ylidene]methyl]naphthalen-2-yl 2-methoxybenzoate

SMILES

CC(C)(C)C1=NN=C(N/N=C/c(c2ccccc2cc2)c2OC(c(cccc2)c2OC)=O)NC1=O

InChI

InChI=1S/C26H25N5O4/c1-26(2,3)22-23(32)28-25(31-29-22)30-27-15-19-17-10-6-5-9-16(17)13-14-21(19)35-24(33)18-11-7-8-12-20(18)34-4/h5-15H,1-4H3,(H2,28,30,31,32)

InChI Key

PSCMTJQLCBIMQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03460810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.806

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-6.73

Polar Surface Area

95.172

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

8014-0176 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0176?
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What is the minimum amount of 8014-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0176
  • 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 8014-0176 available by request