D217-0245 Screening compound: 2-(2-chlorophenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide

D217-0245 Screening compound: 2-(2-chlorophenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide
D217-0245 Screening compound: 2-(2-chlorophenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0245
2-(2-chlorophenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)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

D217-0245

Molecular Formula

C18H17ClN4O3 (C18 H17 ClN4 O3)

Compound Name

2-(2-chlorophenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide

IUPAC name

2-(2-chlorophenyl)-5-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-2H-123-triazole-4-carboxamide

SMILES

COc1cccc(CNC(c2nn(-c(cccc3)c3Cl)nc2CO)=O)c1

InChI

InChI=1S/C18H17ClN4O3/c1-26-13-6-4-5-12(9-13)10-20-18(25)17-15(11-24)21-23(22-17)16-8-3-2-7-14(16)19/h2-9,24H,10-11H2,1H3,(H,20,25)

InChI Key

KRQBMTRQVPHGAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.234

Water Solubility, LogSw

-3.03

Polar Surface Area

75.379

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D217-0245 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 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

References: we are preparing a list of scientific research reports with D217-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0245?
Check Price and Availability of D217-0245, 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 D217-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0245
  • 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 D217-0245 available by request