P774-4643 Screening compound: N-(4H-1,2,4-triazol-3-yl)benzamide

P774-4643 Screening compound: N-(4H-1,2,4-triazol-3-yl)benzamide
P774-4643 Screening compound: N-(4H-1,2,4-triazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P774-4643
N-(4H-1,2,4-triazol-3-yl)benzamide

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

P774-4643

Molecular Formula

C9H8N4O (C9 H8 N4 O)

Compound Name

N-(4H-1,2,4-triazol-3-yl)benzamide

IUPAC name

N-(4H-124-triazol-3-yl)benzamide

SMILES

O=C(c1ccccc1)Nc1nnc[nH]1

InChI

InChI=1S/C9H8N4O/c14-8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h1-6H,(H2,10,11,12,13,14)

InChI Key

XGLLDHTXWOIYCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00483791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

188.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.005

Distribution Coefficient, logD

-0.038

Water Solubility, LogSw

-1.78

Polar Surface Area

60.167

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P774-4643 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
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 P774-4643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P774-4643?
Check Price and Availability of P774-4643, 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 P774-4643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P774-4643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P774-4643
  • 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 P774-4643 available by request