D217-0414 Screening compound: 2-(4-fluorophenyl)-5-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide

D217-0414 Screening compound: 2-(4-fluorophenyl)-5-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide
D217-0414 Screening compound: 2-(4-fluorophenyl)-5-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0414
2-(4-fluorophenyl)-5-(hydroxymethyl)-N-[(4-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

D217-0414

Molecular Formula

C18H17FN4O3 (C18 H17 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(c2nn(-c(cc3)ccc3F)nc2CO)=O)cc1

InChI

InChI=1S/C18H17FN4O3/c1-26-15-8-2-12(3-9-15)10-20-18(25)17-16(11-24)21-23(22-17)14-6-4-13(19)5-7-14/h2-9,24H,10-11H2,1H3,(H,20,25)

InChI Key

DNIAXPNBNAEMHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.36

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

1.662

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.00

Polar Surface Area

75.680

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D217-0414 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D217-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0414?
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What is the minimum amount of D217-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0414
  • 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 D217-0414 available by request