Y041-6872 Screening compound: N-[2-(pyridin-4-yl)ethyl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y041-6872 Screening compound: N-[2-(pyridin-4-yl)ethyl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y041-6872 Screening compound: N-[2-(pyridin-4-yl)ethyl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6872
N-[2-(pyridin-4-yl)ethyl]-4-(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

Y041-6872

Molecular Formula

C15H14N6O (C15 H14 N6 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-n1nnnc1)NCCc1ccncc1

InChI

InChI=1S/C15H14N6O/c22-15(17-10-7-12-5-8-16-9-6-12)13-1-3-14(4-2-13)21-11-18-19-20-21/h1-6,8-9,11H,7,10H2,(H,17,22)

InChI Key

VDPCCCYXOGUHEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22586397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.32

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

0.522

Distribution Coefficient, logD

0.477

Water Solubility, LogSw

-1.34

Polar Surface Area

73.687

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y041-6872 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-6872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6872?
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What is the minimum amount of Y041-6872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6872
  • 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 Y041-6872 available by request