Y040-4961 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y040-4961 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y040-4961 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4961
N-(3-chloro-4-methoxyphenyl)-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

Y040-4961

Molecular Formula

C15H12ClN5O2 (C15 H12 ClN5 O2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

COc(ccc(NC(c(cccc1)c1-n1nnnc1)=O)c1)c1Cl

InChI

InChI=1S/C15H12ClN5O2/c1-23-14-7-6-10(8-12(14)16)18-15(22)11-4-2-3-5-13(11)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)

InChI Key

VLYZVDKWTGPJDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12200666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-3.70

Polar Surface Area

70.424

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

Y040-4961 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-4961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4961?
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What is the minimum amount of Y040-4961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4961
  • 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 Y040-4961 available by request