2222-0343 Screening compound: 4-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]phenol

2222-0343 Screening compound: 4-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]phenol
2222-0343 Screening compound: 4-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2222-0343
4-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]phenol

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

2222-0343

Molecular Formula

C9H8N4O (C9 H8 N4 O)

Compound Name

4-[(E)-[(4H-1,2,4-triazol-4-yl)imino]methyl]phenol

IUPAC name

4-[(E)-[(4H-124-triazol-4-yl)imino]methyl]phenol

SMILES

Oc1ccc(/C=N/n2cnnc2)cc1

InChI

InChI=1S/C9H8N4O/c14-9-3-1-8(2-4-9)5-12-13-6-10-11-7-13/h1-7,14H

InChI Key

NOVRDRZKUXJKNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00463482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

188.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.001

Distribution Coefficient, logD

-0.002

Water Solubility, LogSw

-0.57

Polar Surface Area

51.823

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2222-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2222-0343?
Check Price and Availability of 2222-0343, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2222-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2222-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2222-0343
  • 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 2222-0343 available by request