D217-0726 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide

D217-0726 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
D217-0726 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0726
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-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

D217-0726

Molecular Formula

C19H19ClN4O3 (C19 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1nc(C(NCc(cccc2)c2Cl)=O)c(CO)n1

InChI

InChI=1S/C19H19ClN4O3/c1-2-27-15-9-7-14(8-10-15)24-22-17(12-25)18(23-24)19(26)21-11-13-5-3-4-6-16(13)20/h3-10,25H,2,11-12H2,1H3,(H,21,26)

InChI Key

RMQNCOJHBHERHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.801

Distribution Coefficient, logD

2.801

Water Solubility, LogSw

-3.26

Polar Surface Area

75.259

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D217-0726 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D217-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0726?
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What is the minimum amount of D217-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0726
  • 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 D217-0726 available by request