D217-0790 Screening compound: 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide

D217-0790 Screening compound: 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
D217-0790 Screening compound: 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0790
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide

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

D217-0790

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-1,2,3-triazole-4-carboxamide

IUPAC name

2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[(thiophen-2-yl)methyl]-2H-123-triazole-4-carboxamide

SMILES

CCc(cc1)ccc1-n1nc(C(NCc2cccs2)=O)c(CO)n1

InChI

InChI=1S/C17H18N4O2S/c1-2-12-5-7-13(8-6-12)21-19-15(11-22)16(20-21)17(23)18-10-14-4-3-9-24-14/h3-9,22H,2,10-11H2,1H3,(H,18,23)

InChI Key

KDVAAHXCTNCQAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-2.65

Polar Surface Area

69.154

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D217-0790 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D217-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0790?
Check Price and Availability of D217-0790, 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 D217-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0790
  • 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 D217-0790 available by request