Y031-6612 Screening compound: 1-benzoyl-4-methylpiperidine

Y031-6612 Screening compound: 1-benzoyl-4-methylpiperidine
Y031-6612 Screening compound: 1-benzoyl-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6612
1-benzoyl-4-methylpiperidine

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

Y031-6612

Molecular Formula

C13H17NO (C13 H17 NO)

Compound Name

1-benzoyl-4-methylpiperidine

IUPAC name

1-benzoyl-4-methylpiperidine

SMILES

CC(CC1)CCN1C(c1ccccc1)=O

InChI

InChI=1S/C13H17NO/c1-11-7-9-14(10-8-11)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

InChI Key

BAXKIBHBAJDALN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00791167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.327

Water Solubility, LogSw

-2.35

Polar Surface Area

16.887

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Y031-6612 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-6612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6612?
Check Price and Availability of Y031-6612, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-6612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6612
  • 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 Y031-6612 available by request