Y031-7416 Screening compound: 1-(4-fluorobenzoyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide

Y031-7416 Screening compound: 1-(4-fluorobenzoyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide
Y031-7416 Screening compound: 1-(4-fluorobenzoyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7416
1-(4-fluorobenzoyl)-N-[(furan-2-yl)methyl]piperidine-3-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

Y031-7416

Molecular Formula

C18H19FN2O3 (C18 H19 FN2 O3)

Compound Name

1-(4-fluorobenzoyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-(4-fluorobenzoyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(c(cc1)ccc1F)=O)NCc1ccco1

InChI

InChI=1S/C18H19FN2O3/c19-15-7-5-13(6-8-15)18(23)21-9-1-3-14(12-21)17(22)20-11-16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,22)/t14-/m0/s1

InChI Key

KRHLIRQSKQGLJH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10830208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.18

Polar Surface Area

48.982

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y031-7416 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-7416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7416?
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What is the minimum amount of Y031-7416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7416
  • 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 Y031-7416 available by request