Y040-5254 Screening compound: (4-benzylpiperazino)[4-chloro-2-(1H-1,2,3,4-tetraazol-1-yl)phenyl]methanone

Y040-5254 Screening compound: (4-benzylpiperazino)[4-chloro-2-(1H-1,2,3,4-tetraazol-1-yl)phenyl]methanone
Y040-5254 Screening compound: (4-benzylpiperazino)[4-chloro-2-(1H-1,2,3,4-tetraazol-1-yl)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5254
(4-benzylpiperazino)[4-chloro-2-(1H-1,2,3,4-tetraazol-1-yl)phenyl]methanone

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

Y040-5254

Molecular Formula

C19H19ClN6O (C19 H19 ClN6 O)

Compound Name

(4-benzylpiperazino)[4-chloro-2-(1H-1,2,3,4-tetraazol-1-yl)phenyl]methanone

IUPAC name

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

SMILES

O=C(c(ccc(Cl)c1)c1-n1nnnc1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C19H19ClN6O/c20-16-6-7-17(18(12-16)26-14-21-22-23-26)19(27)25-10-8-24(9-11-25)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2

InChI Key

AHKVCMXWCRCDAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12208600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.295

Water Solubility, LogSw

-3.37

Polar Surface Area

59.892

Acid Dissociation Constant (pKa)

28.11

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y040-5254 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-5254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5254?
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What is the minimum amount of Y040-5254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5254
  • 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 Y040-5254 available by request