7881-0266 Screening compound: 3-fluoro-N-(4H-1,2,4-triazol-3-yl)benzamide

7881-0266 Screening compound: 3-fluoro-N-(4H-1,2,4-triazol-3-yl)benzamide
7881-0266 Screening compound: 3-fluoro-N-(4H-1,2,4-triazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7881-0266
3-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

7881-0266

Molecular Formula

C9H7FN4O (C9 H7 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(F)c1)Nc1nnc[nH]1

InChI

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

InChI Key

AQERYHSAKUBTEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13389928

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

0.233

Distribution Coefficient, logD

-0.025

Water Solubility, LogSw

-1.88

Polar Surface Area

60.167

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7881-0266 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7881-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7881-0266?
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What is the minimum amount of 7881-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7881-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7881-0266
  • 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 7881-0266 available by request