Y040-5342 Screening compound: 1-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidin-4-one

Y040-5342 Screening compound: 1-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidin-4-one
Y040-5342 Screening compound: 1-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5342
1-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidin-4-one

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

Y040-5342

Molecular Formula

C13H12ClN5O2 (C13 H12 ClN5 O2)

Compound Name

1-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidin-4-one

IUPAC name

1-[5-chloro-2-(1H-1234-tetrazol-1-yl)benzoyl]piperidin-4-one

SMILES

O=C(c(cc(cc1)Cl)c1-n1nnnc1)N(CC1)CCC1=O

InChI

InChI=1S/C13H12ClN5O2/c14-9-1-2-12(19-8-15-16-17-19)11(7-9)13(21)18-5-3-10(20)4-6-18/h1-2,7-8H,3-6H2

InChI Key

ZMWQHBNJFJYCPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.622

Distribution Coefficient, logD

0.622

Water Solubility, LogSw

-2.61

Polar Surface Area

69.700

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y040-5342 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-5342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5342?
Check Price and Availability of Y040-5342, 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 Y040-5342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5342
  • 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 Y040-5342 available by request