Y031-5759 Screening compound: 1-(4-fluorobenzoyl)-N-(pyridin-4-yl)piperidine-4-carboxamide

Y031-5759 Screening compound: 1-(4-fluorobenzoyl)-N-(pyridin-4-yl)piperidine-4-carboxamide
Y031-5759 Screening compound: 1-(4-fluorobenzoyl)-N-(pyridin-4-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5759
1-(4-fluorobenzoyl)-N-(pyridin-4-yl)piperidine-4-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

Y031-5759

Molecular Formula

C18H18FN3O2 (C18 H18 FN3 O2)

Compound Name

1-(4-fluorobenzoyl)-N-(pyridin-4-yl)piperidine-4-carboxamide

IUPAC name

1-(4-fluorobenzoyl)-N-(pyridin-4-yl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c(cc1)ccc1F)=O)Nc1ccncc1

InChI

InChI=1S/C18H18FN3O2/c19-15-3-1-14(2-4-15)18(24)22-11-7-13(8-12-22)17(23)21-16-5-9-20-10-6-16/h1-6,9-10,13H,7-8,11-12H2,(H,20,21,23)

InChI Key

OXGZEYZXWYFFBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09457837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.267

Distribution Coefficient, logD

1.192

Water Solubility, LogSw

-1.48

Polar Surface Area

49.406

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y031-5759 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y031-5759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5759?
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What is the minimum amount of Y031-5759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5759
  • 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 Y031-5759 available by request