Y031-5652 Screening compound: N-cycloheptyl-1-(3-fluorobenzoyl)piperidine-4-carboxamide

Y031-5652 Screening compound: N-cycloheptyl-1-(3-fluorobenzoyl)piperidine-4-carboxamide
Y031-5652 Screening compound: N-cycloheptyl-1-(3-fluorobenzoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5652
N-cycloheptyl-1-(3-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

Y031-5652

Molecular Formula

C20H27FN2O2 (C20 H27 FN2 O2)

Compound Name

N-cycloheptyl-1-(3-fluorobenzoyl)piperidine-4-carboxamide

IUPAC name

N-cycloheptyl-1-(3-fluorobenzoyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1cccc(F)c1)=O)NC1CCCCCC1

InChI

InChI=1S/C20H27FN2O2/c21-17-7-5-6-16(14-17)20(25)23-12-10-15(11-13-23)19(24)22-18-8-3-1-2-4-9-18/h5-7,14-15,18H,1-4,8-13H2,(H,22,24)

InChI Key

DEIXMMUQVNWTRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09457567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

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

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.24

Polar Surface Area

41.356

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

Y031-5652 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Phosphatases Annotated Library (206 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-5652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5652?
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What is the minimum amount of Y031-5652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5652
  • 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 Y031-5652 available by request