8015-0563 Screening compound: 1-methylpiperidin-4-yl 3-fluorobenzoate

8015-0563 Screening compound: 1-methylpiperidin-4-yl 3-fluorobenzoate
8015-0563 Screening compound: 1-methylpiperidin-4-yl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0563
1-methylpiperidin-4-yl 3-fluorobenzoate

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

8015-0563

Molecular Formula

C13H16FNO2 (C13 H16 FNO2)

Compound Name

1-methylpiperidin-4-yl 3-fluorobenzoate

IUPAC name

1-methylpiperidin-4-yl 3-fluorobenzoate

SMILES

CN(CC1)CCC1OC(c1cccc(F)c1)=O

InChI

InChI=1S/C13H16FNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3

InChI Key

ZFURYJWOGQNUPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03685786

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

-1.023

Water Solubility, LogSw

-2.17

Polar Surface Area

23.799

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

10.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

8015-0563 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0563?
Check Price and Availability of 8015-0563, 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 8015-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0563
  • 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 8015-0563 available by request