8013-3111 Screening compound: 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

8013-3111 Screening compound: 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
8013-3111 Screening compound: 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3111
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

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

8013-3111

Molecular Formula

C14H19FN2O (C14 H19 FN2 O)

Compound Name

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

IUPAC name

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

SMILES

CN(C1CCN(C)CC1)C(c(cccc1)c1F)=O

InChI

InChI=1S/C14H19FN2O/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3

InChI Key

MVVOMFYSEXYDJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765962

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

250.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.476

Distribution Coefficient, logD

-0.526

Water Solubility, LogSw

-2.05

Polar Surface Area

18.917

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8013-3111 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 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
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8013-3111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3111?
Check Price and Availability of 8013-3111, 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 8013-3111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3111
  • 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 8013-3111 available by request