2547-0453 Screening compound: ethyl 1-benzylpiperidine-3-carboxylate

2547-0453 Screening compound: ethyl 1-benzylpiperidine-3-carboxylate
2547-0453 Screening compound: ethyl 1-benzylpiperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2547-0453
ethyl 1-benzylpiperidine-3-carboxylate

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

2547-0453

Molecular Formula

C15H21NO2 (C15 H21 NO2)

Compound Name

ethyl 1-benzylpiperidine-3-carboxylate

IUPAC name

ethyl 1-benzylpiperidine-3-carboxylate

SMILES

CCOC(C1CN(Cc2ccccc2)CCC1)=O

InChI

InChI=1S/C15H21NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3/t14-/m0/s1

InChI Key

CDMAVYOAEITWFQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00191221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.537

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.33

Polar Surface Area

24.658

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

2547-0453 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 2547-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2547-0453?
Check Price and Availability of 2547-0453, 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 2547-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2547-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2547-0453
  • 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 2547-0453 available by request