3253-0846 Screening compound: 2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-6-(prop-2-en-1-yl)phenol

3253-0846 Screening compound: 2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-6-(prop-2-en-1-yl)phenol
3253-0846 Screening compound: 2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-6-(prop-2-en-1-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-0846
2-[(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]-6-(prop-2-en-1-yl)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

3253-0846

Molecular Formula

C14H16N4O (C14 H16 N4 O)

Compound Name

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

IUPAC name

2-[(E)-[(35-dimethyl-4H-124-triazol-4-yl)imino]methyl]-6-(prop-2-en-1-yl)phenol

SMILES

Cc1nnc(C)n1/N=C/c(cccc1CC=C)c1O

InChI

InChI=1S/C14H16N4O/c1-4-6-12-7-5-8-13(14(12)19)9-15-18-10(2)16-17-11(18)3/h4-5,7-9,19H,1,6H2,2-3H3

InChI Key

QHERJVGZDPKCLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01910196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.797

Distribution Coefficient, logD

1.781

Water Solubility, LogSw

-1.33

Polar Surface Area

52.328

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3253-0846 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-0846?
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What is the minimum amount of 3253-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-0846
  • 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 3253-0846 available by request