4826-0162 Screening compound: N-[3-(4-fluorobenzamido)-1-phenyl-1H-1,2,4-triazol-5-yl]-4-methoxybenzamide

4826-0162 Screening compound: N-[3-(4-fluorobenzamido)-1-phenyl-1H-1,2,4-triazol-5-yl]-4-methoxybenzamide
4826-0162 Screening compound: N-[3-(4-fluorobenzamido)-1-phenyl-1H-1,2,4-triazol-5-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4826-0162
N-[3-(4-fluorobenzamido)-1-phenyl-1H-1,2,4-triazol-5-yl]-4-methoxybenzamide

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

4826-0162

Molecular Formula

C23H18FN5O3 (C23 H18 FN5 O3)

Compound Name

N-[3-(4-fluorobenzamido)-1-phenyl-1H-1,2,4-triazol-5-yl]-4-methoxybenzamide

IUPAC name

N-[3-(4-fluorobenzamido)-1-phenyl-1H-124-triazol-5-yl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc1nc(NC(c(cc2)ccc2F)=O)nn1-c1ccccc1)=O

InChI

InChI=1S/C23H18FN5O3/c1-32-19-13-9-16(10-14-19)21(31)26-23-27-22(28-29(23)18-5-3-2-4-6-18)25-20(30)15-7-11-17(24)12-8-15/h2-14H,1H3,(H2,25,26,27,28,30,31)

InChI Key

UWDCAFSARDUOHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-4.14

Polar Surface Area

80.929

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

4826-0162 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4826-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4826-0162?
Check Price and Availability of 4826-0162, 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 4826-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4826-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4826-0162
  • 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 4826-0162 available by request