3456-0156 Screening compound: 1,2,5-trimethyl-4-piperidyl 3-methoxybenzoate

3456-0156 Screening compound: 1,2,5-trimethyl-4-piperidyl 3-methoxybenzoate
3456-0156 Screening compound: 1,2,5-trimethyl-4-piperidyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0156
1,2,5-trimethyl-4-piperidyl 3-methoxybenzoate

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

3456-0156

Molecular Formula

C16H23NO3 (C16 H23 NO3)

Compound Name

1,2,5-trimethyl-4-piperidyl 3-methoxybenzoate

IUPAC name

125-trimethylpiperidin-4-yl 3-methoxybenzoate

SMILES

CC(CN(C)C(C)C1)C1OC(c1cc(OC)ccc1)=O

InChI

InChI=1S/C16H23NO3/c1-11-10-17(3)12(2)8-15(11)20-16(18)13-6-5-7-14(9-13)19-4/h5-7,9,11-12,15H,8,10H2,1-4H3

InChI Key

GZVRRJMREYBBIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01856864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.840

Distribution Coefficient, logD

-0.386

Water Solubility, LogSw

-3.31

Polar Surface Area

30.720

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.25

3456-0156 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3456-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0156?
Check Price and Availability of 3456-0156, 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 3456-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0156
  • 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 3456-0156 available by request