Y041-6866 Screening compound: 5-fluoro-N-[2-(pyridin-4-yl)ethyl]-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y041-6866 Screening compound: 5-fluoro-N-[2-(pyridin-4-yl)ethyl]-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y041-6866 Screening compound: 5-fluoro-N-[2-(pyridin-4-yl)ethyl]-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6866
5-fluoro-N-[2-(pyridin-4-yl)ethyl]-2-(1H-1,2,3,4-tetrazol-1-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

Y041-6866

Molecular Formula

C15H13FN6O (C15 H13 FN6 O)

Compound Name

5-fluoro-N-[2-(pyridin-4-yl)ethyl]-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

5-fluoro-N-[2-(pyridin-4-yl)ethyl]-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c(cc(cc1)F)c1-n1nnnc1)NCCc1ccncc1

InChI

InChI=1S/C15H13FN6O/c16-12-1-2-14(22-10-19-20-21-22)13(9-12)15(23)18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9-10H,5,8H2,(H,18,23)

InChI Key

SWMMBADAVKKYRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22584929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.987

Distribution Coefficient, logD

0.942

Water Solubility, LogSw

-1.96

Polar Surface Area

73.386

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y041-6866 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS Targets (44014 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-6866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6866?
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What is the minimum amount of Y041-6866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6866
  • 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 Y041-6866 available by request