4161-2537 Screening compound: methyl 4-[(piperidin-1-yl)methyl]benzoate

4161-2537 Screening compound: methyl 4-[(piperidin-1-yl)methyl]benzoate
4161-2537 Screening compound: methyl 4-[(piperidin-1-yl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2537
methyl 4-[(piperidin-1-yl)methyl]benzoate

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

4161-2537

Molecular Formula

C14H19NO2 (C14 H19 NO2)

Compound Name

methyl 4-[(piperidin-1-yl)methyl]benzoate

IUPAC name

methyl 4-[(piperidin-1-yl)methyl]benzoate

SMILES

COC(c1ccc(CN2CCCCC2)cc1)=O

InChI

InChI=1S/C14H19NO2/c1-17-14(16)13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3

InChI Key

VSUPXUIIYYFQDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

1.278

Water Solubility, LogSw

-2.76

Polar Surface Area

25.145

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4161-2537 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Nervous system
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4161-2537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2537?
Check Price and Availability of 4161-2537, 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 4161-2537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2537
  • 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 4161-2537 available by request