D217-0063 Screening compound: 5-(hydroxymethyl)-2-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide

D217-0063 Screening compound: 5-(hydroxymethyl)-2-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide
D217-0063 Screening compound: 5-(hydroxymethyl)-2-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0063
5-(hydroxymethyl)-2-(2-methylphenyl)-N-[(4-methylphenyl)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

D217-0063

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c2nn(-c3c(C)cccc3)nc2CO)=O)cc1

InChI

InChI=1S/C19H20N4O2/c1-13-7-9-15(10-8-13)11-20-19(25)18-16(12-24)21-23(22-18)17-6-4-3-5-14(17)2/h3-10,24H,11-12H2,1-2H3,(H,20,25)

InChI Key

FWRFTQYMABFXCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.528

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-2.46

Polar Surface Area

67.835

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D217-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0063?
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What is the minimum amount of D217-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0063
  • 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 D217-0063 available by request