7881-0229 Screening compound: 2-fluoro-N-(4H-1,2,4-triazol-3-yl)benzamide

7881-0229 Screening compound: 2-fluoro-N-(4H-1,2,4-triazol-3-yl)benzamide
7881-0229 Screening compound: 2-fluoro-N-(4H-1,2,4-triazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7881-0229
2-fluoro-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

7881-0229

Molecular Formula

C9H7FN4O (C9 H7 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)Nc1nnc[nH]1

InChI

InChI=1S/C9H7FN4O/c10-7-4-2-1-3-6(7)8(15)13-9-11-5-12-14-9/h1-5H,(H2,11,12,13,14,15)

InChI Key

NIHIHUPLQISLLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.18

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

0.093

Distribution Coefficient, logD

-0.184

Water Solubility, LogSw

-2.20

Polar Surface Area

60.167

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7881-0229 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 7881-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7881-0229?
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What is the minimum amount of 7881-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7881-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7881-0229
  • 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 7881-0229 available by request