Y040-9122 Screening compound: N-(1-benzylpiperidin-4-yl)-5-{[4-(trifluoromethoxy)phenoxy]methyl}furan-2-carboxamide

Y040-9122 Screening compound: N-(1-benzylpiperidin-4-yl)-5-{[4-(trifluoromethoxy)phenoxy]methyl}furan-2-carboxamide
Y040-9122 Screening compound: N-(1-benzylpiperidin-4-yl)-5-{[4-(trifluoromethoxy)phenoxy]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9122
N-(1-benzylpiperidin-4-yl)-5-{[4-(trifluoromethoxy)phenoxy]methyl}furan-2-carboxamide

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

Y040-9122

Molecular Formula

C25H25F3N2O4 (C25 H25 F3 N2 O4)

Compound Name

N-(1-benzylpiperidin-4-yl)-5-{[4-(trifluoromethoxy)phenoxy]methyl}furan-2-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-5-{[4-(trifluoromethoxy)phenoxy]methyl}furan-2-carboxamide

SMILES

O=C(c1ccc(COc(cc2)ccc2OC(F)(F)F)o1)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H25F3N2O4/c26-25(27,28)34-21-8-6-20(7-9-21)32-17-22-10-11-23(33-22)24(31)29-19-12-14-30(15-13-19)16-18-4-2-1-3-5-18/h1-11,19H,12-17H2,(H,29,31)

InChI Key

GNAWDHRPGXPXDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13760464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.230

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-5.32

Polar Surface Area

48.923

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

Y040-9122 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-9122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9122?
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What is the minimum amount of Y040-9122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9122
  • 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 Y040-9122 available by request