D217-0167 Screening compound: N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide

D217-0167 Screening compound: N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide
D217-0167 Screening compound: N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0167
N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)-2-(4-methylphenyl)-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

D217-0167

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(c2nn(-c3ccc(C)cc3)nc2CO)=O)cc1

InChI

InChI=1S/C20H22N4O2/c1-3-15-6-8-16(9-7-15)12-21-20(26)19-18(13-25)22-24(23-19)17-10-4-14(2)5-11-17/h4-11,25H,3,12-13H2,1-2H3,(H,21,26)

InChI Key

JZVJLVBMIMOBIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

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

3.004

Distribution Coefficient, logD

3.004

Water Solubility, LogSw

-3.02

Polar Surface Area

68.136

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D217-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0167?
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What is the minimum amount of D217-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0167
  • 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 D217-0167 available by request