Y040-5271 Screening compound: 2-(1H-1,2,3,4-tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide

Y040-5271 Screening compound: 2-(1H-1,2,3,4-tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Y040-5271 Screening compound: 2-(1H-1,2,3,4-tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5271
2-(1H-1,2,3,4-tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)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

Y040-5271

Molecular Formula

C17H17N5O4 (C17 H17 N5 O4)

Compound Name

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

IUPAC name

2-(1H-1234-tetrazol-1-yl)-N-(345-trimethoxyphenyl)benzamide

SMILES

COc1cc(NC(c(cccc2)c2-n2nnnc2)=O)cc(OC)c1OC

InChI

InChI=1S/C17H17N5O4/c1-24-14-8-11(9-15(25-2)16(14)26-3)19-17(23)12-6-4-5-7-13(12)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)

InChI Key

CJGVTWCETYOZSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12207168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.681

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.74

Polar Surface Area

85.772

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y040-5271 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 Y040-5271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5271?
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What is the minimum amount of Y040-5271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5271
  • 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 Y040-5271 available by request