F019-3096 Screening compound: N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

F019-3096 Screening compound: N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
F019-3096 Screening compound: N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-3096
N-[(4-chlorophenyl)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

F019-3096

Molecular Formula

C22H18ClN5O2 (C22 H18 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(n2nc(-c3cnccc3)nc2NCc(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C22H18ClN5O2/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

OQFFDPBWCLHCIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08671668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

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

3.579

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-4.02

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

F019-3096 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F019-3096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-3096?
Check Price and Availability of F019-3096, 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 F019-3096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-3096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-3096
  • 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 F019-3096 available by request