Y041-5706 Screening compound: 1-[2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

Y041-5706 Screening compound: 1-[2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
Y041-5706 Screening compound: 1-[2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5706
1-[2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

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

Y041-5706

Molecular Formula

C18H16F3N7O (C18 H16 F3 N7 O)

Compound Name

1-[2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

IUPAC name

1-[2-(1H-1234-tetrazol-1-yl)benzoyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

SMILES

O=C(c(cccc1)c1-n1nnnc1)N(CC1)CCN1c1ncc(C(F)(F)F)cc1

InChI

InChI=1S/C18H16F3N7O/c19-18(20,21)13-5-6-16(22-11-13)26-7-9-27(10-8-26)17(29)14-3-1-2-4-15(14)28-12-23-24-25-28/h1-6,11-12H,7-10H2

InChI Key

SJGAPXRNKULWFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.72

Polar Surface Area

68.212

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y041-5706 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-5706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5706?
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What is the minimum amount of Y041-5706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5706
  • 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 Y041-5706 available by request