5617-0046 Screening compound: 4-[(E)-{2-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazin-1-ylidene}methyl]benzoic acid

5617-0046 Screening compound: 4-[(E)-{2-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazin-1-ylidene}methyl]benzoic acid
5617-0046 Screening compound: 4-[(E)-{2-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazin-1-ylidene}methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5617-0046
4-[(E)-{2-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazin-1-ylidene}methyl]benzoic acid

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

5617-0046

Molecular Formula

C18H15N5O3 (C18 H15 N5 O3)

Compound Name

4-[(E)-{2-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazin-1-ylidene}methyl]benzoic acid

IUPAC name

4-[(E)-{2-[5-(4-methoxyphenyl)-124-triazin-3-yl]hydrazin-1-ylidene}methyl]benzoic acid

SMILES

COc(cc1)ccc1-c1nc(N/N=C/c(cc2)ccc2C(O)=O)nnc1

InChI

InChI=1S/C18H15N5O3/c1-26-15-8-6-13(7-9-15)16-11-20-23-18(21-16)22-19-10-12-2-4-14(5-3-12)17(24)25/h2-11H,1H3,(H,24,25)(H,21,22,23)

InChI Key

VMQNZXSSJOIZJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

-0.172

Water Solubility, LogSw

-3.42

Polar Surface Area

90.818

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 5617-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5617-0046?
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What is the minimum amount of 5617-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5617-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5617-0046
  • 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 5617-0046 available by request