Y031-5791 Screening compound: N-cyclooctyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide

Y031-5791 Screening compound: N-cyclooctyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide
Y031-5791 Screening compound: N-cyclooctyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5791
N-cyclooctyl-1-(4-fluorobenzoyl)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

Y031-5791

Molecular Formula

C21H29FN2O2 (C21 H29 FN2 O2)

Compound Name

N-cyclooctyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide

IUPAC name

N-cyclooctyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c(cc1)ccc1F)=O)NC1CCCCCCC1

InChI

InChI=1S/C21H29FN2O2/c22-18-10-8-17(9-11-18)21(26)24-14-12-16(13-15-24)20(25)23-19-6-4-2-1-3-5-7-19/h8-11,16,19H,1-7,12-15H2,(H,23,25)

InChI Key

QEIPCLBKBHTNJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07831218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.51

Polar Surface Area

41.356

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

Y031-5791 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-5791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5791?
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What is the minimum amount of Y031-5791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5791
  • 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 Y031-5791 available by request