D217-0369 Screening compound: 2-(2-fluorophenyl)-5-(hydroxymethyl)-N-[(pyridin-3-yl)methyl]-2H-1,2,3-triazole-4-carboxamide

D217-0369 Screening compound: 2-(2-fluorophenyl)-5-(hydroxymethyl)-N-[(pyridin-3-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
D217-0369 Screening compound: 2-(2-fluorophenyl)-5-(hydroxymethyl)-N-[(pyridin-3-yl)methyl]-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D217-0369
2-(2-fluorophenyl)-5-(hydroxymethyl)-N-[(pyridin-3-yl)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

D217-0369

Molecular Formula

C16H14FN5O2 (C16 H14 FN5 O2)

Compound Name

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

IUPAC name

2-(2-fluorophenyl)-5-(hydroxymethyl)-N-[(pyridin-3-yl)methyl]-2H-123-triazole-4-carboxamide

SMILES

OCc1nn(-c(cccc2)c2F)nc1C(NCc1cnccc1)=O

InChI

InChI=1S/C16H14FN5O2/c17-12-5-1-2-6-14(12)22-20-13(10-23)15(21-22)16(24)19-9-11-4-3-7-18-8-11/h1-8,23H,9-10H2,(H,19,24)

InChI Key

ROHPRHFWBMLGMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.471

Distribution Coefficient, logD

0.471

Water Solubility, LogSw

-0.91

Polar Surface Area

77.353

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D217-0369 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D217-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D217-0369?
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What is the minimum amount of D217-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D217-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D217-0369
  • 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 D217-0369 available by request