3461-2674 Screening compound: phenyl 4-methyltetrahydro-1(2H)-pyridinecarboxylate

3461-2674 Screening compound: phenyl 4-methyltetrahydro-1(2H)-pyridinecarboxylate
3461-2674 Screening compound: phenyl 4-methyltetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2674
phenyl 4-methyltetrahydro-1(2H)-pyridinecarboxylate

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

3461-2674

Molecular Formula

C13H17NO2 (C13 H17 NO2)

Compound Name

phenyl 4-methyltetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

phenyl 4-methylpiperidine-1-carboxylate

SMILES

CC(CC1)CCN1C(Oc1ccccc1)=O

InChI

InChI=1S/C13H17NO2/c1-11-7-9-14(10-8-11)13(15)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

InChI Key

WURIROSRKBPVMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02575839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.28

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

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.70

Polar Surface Area

22.835

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

3461-2674 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3461-2674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2674?
Check Price and Availability of 3461-2674, 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 3461-2674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2674
  • 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 3461-2674 available by request