Y040-4962 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y040-4962 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y040-4962 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4962
N-(5-chloro-2,4-dimethoxyphenyl)-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

Y040-4962

Molecular Formula

C16H14ClN5O3 (C16 H14 ClN5 O3)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

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

InChI

InChI=1S/C16H14ClN5O3/c1-24-14-8-15(25-2)12(7-11(14)17)19-16(23)10-5-3-4-6-13(10)22-9-18-20-21-22/h3-9H,1-2H3,(H,19,23)

InChI Key

GTDMIHQJQWVAKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12204375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.70

Polar Surface Area

77.357

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y040-4962 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-4962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4962?
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What is the minimum amount of Y040-4962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4962
  • 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 Y040-4962 available by request