D116-0368 Screening compound: N-[(4-fluorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0368 Screening compound: N-[(4-fluorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0368 Screening compound: N-[(4-fluorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0368
N-[(4-fluorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

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

D116-0368

Molecular Formula

C22H18FN5O2 (C22 H18 FN5 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

IUPAC name

N-[(4-fluorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

COc1cccc(C(n2nc(-c3cnccc3)nc2NCc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C22H18FN5O2/c1-30-19-6-2-4-16(12-19)21(29)28-22(25-13-15-7-9-18(23)10-8-15)26-20(27-28)17-5-3-11-24-14-17/h2-12,14H,13H2,1H3,(H,25,26,27)

InChI Key

ZCDQILSVGWQXQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08287161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.09

Polar Surface Area

66.289

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D116-0368 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D116-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0368?
Check Price and Availability of D116-0368, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D116-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0368
  • 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 D116-0368 available by request