3254-0279 Screening compound: 2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-4,6-diiodophenol

3254-0279 Screening compound: 2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-4,6-diiodophenol
3254-0279 Screening compound: 2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-4,6-diiodophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-0279
2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-4,6-diiodophenol

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

3254-0279

Molecular Formula

C11H10I2N4O (C11 H10 I2 N4 O)

Compound Name

2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-4,6-diiodophenol

IUPAC name

2-[(E)-[(35-dimethyl-4H-124-triazol-4-yl)imino]methyl]-46-diiodophenol

SMILES

Cc1nnc(C)n1/N=C/c1cc(I)cc(I)c1O

InChI

InChI=1S/C11H10I2N4O/c1-6-15-16-7(2)17(6)14-5-8-3-9(12)4-10(13)11(8)18/h3-5,18H,1-2H3

InChI Key

GZIQOBBQNZKEHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00298089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.04

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

2.827

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.69

Polar Surface Area

52.328

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3254-0279 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3254-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-0279?
Check Price and Availability of 3254-0279, 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 3254-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-0279
  • 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 3254-0279 available by request