4896-0091 Screening compound: 2-{2-[(Z)-[2-(5-phenyl-1,2,4-triazin-3-yl)hydrazin-1-ylidene]methyl]phenoxy}acetic acid

4896-0091 Screening compound: 2-{2-[(Z)-[2-(5-phenyl-1,2,4-triazin-3-yl)hydrazin-1-ylidene]methyl]phenoxy}acetic acid
4896-0091 Screening compound: 2-{2-[(Z)-[2-(5-phenyl-1,2,4-triazin-3-yl)hydrazin-1-ylidene]methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0091
2-{2-[(Z)-[2-(5-phenyl-1,2,4-triazin-3-yl)hydrazin-1-ylidene]methyl]phenoxy}acetic 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

4896-0091

Molecular Formula

C18H15N5O3 (C18 H15 N5 O3)

Compound Name

2-{2-[(Z)-[2-(5-phenyl-1,2,4-triazin-3-yl)hydrazin-1-ylidene]methyl]phenoxy}acetic acid

IUPAC name

2-{2-[(Z)-[2-(5-phenyl-124-triazin-3-yl)hydrazin-1-ylidene]methyl]phenoxy}acetic acid

SMILES

OC(COc1c(/C=N\Nc2nncc(-c3ccccc3)n2)cccc1)=O

InChI

InChI=1S/C18H15N5O3/c24-17(25)12-26-16-9-5-4-8-14(16)10-19-22-18-21-15(11-20-23-18)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,25)(H,21,22,23)

InChI Key

DHHFPUAOLUEAOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448118

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

-0.850

Water Solubility, LogSw

-3.40

Polar Surface Area

90.836

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4896-0091 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4896-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-0091?
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What is the minimum amount of 4896-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0091
  • 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 4896-0091 available by request