Y040-5051 Screening compound: 2-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline

Y040-5051 Screening compound: 2-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline
Y040-5051 Screening compound: 2-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5051
2-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline

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

Y040-5051

Molecular Formula

C17H14ClN5O (C17 H14 ClN5 O)

Compound Name

2-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[4-chloro-2-(1H-1234-tetrazol-1-yl)benzoyl]-1234-tetrahydroisoquinoline

SMILES

O=C(c(ccc(Cl)c1)c1-n1nnnc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C17H14ClN5O/c18-14-5-6-15(16(9-14)23-11-19-20-21-23)17(24)22-8-7-12-3-1-2-4-13(12)10-22/h1-6,9,11H,7-8,10H2

InChI Key

SJONYMXVYBZKJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12201241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.66

Polar Surface Area

56.013

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y040-5051 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-5051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5051?
Check Price and Availability of Y040-5051, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-5051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5051
  • 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 Y040-5051 available by request