0342-0288 Screening compound: [1-benzyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol

0342-0288 Screening compound: [1-benzyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol
0342-0288 Screening compound: [1-benzyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0342-0288
[1-benzyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol

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

0342-0288

Molecular Formula

C11H13N3O2 (C11 H13 N3 O2)

Compound Name

[1-benzyl-3-(hydroxymethyl)-1H-1,2,4-triazol-5-yl]methanol

IUPAC name

[1-benzyl-3-(hydroxymethyl)-1H-124-triazol-5-yl]methanol

SMILES

OCc1nc(CO)nn1Cc1ccccc1

InChI

InChI=1S/C11H13N3O2/c15-7-10-12-11(8-16)14(13-10)6-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2

InChI Key

JBPPBQNBQDIYNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.022

Distribution Coefficient, logD

0.022

Water Solubility, LogSw

-0.65

Polar Surface Area

60.222

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0342-0288 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0342-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0342-0288?
Check Price and Availability of 0342-0288, 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 0342-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0342-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0342-0288
  • 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 0342-0288 available by request