8016-2547 Screening compound: ethyl 1-{[(4-chlorophenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate

8016-2547 Screening compound: ethyl 1-{[(4-chlorophenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate
8016-2547 Screening compound: ethyl 1-{[(4-chlorophenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2547
ethyl 1-{[(4-chlorophenyl)carbamoyl]methyl}-4-phenylpiperidine-4-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

8016-2547

Molecular Formula

C22H25ClN2O3 (C22 H25 ClN2 O3)

Compound Name

ethyl 1-{[(4-chlorophenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate

IUPAC name

ethyl 1-{[(4-chlorophenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate

SMILES

CCOC(C1(CCN(CC(Nc(cc2)ccc2Cl)=O)CC1)c1ccccc1)=O

InChI

InChI=1S/C22H25ClN2O3/c1-2-28-21(27)22(17-6-4-3-5-7-17)12-14-25(15-13-22)16-20(26)24-19-10-8-18(23)9-11-19/h3-11H,2,12-16H2,1H3,(H,24,26)

InChI Key

MZFZEXXNRWTPTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854997

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

400.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-5.01

Polar Surface Area

47.602

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8016-2547 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with 8016-2547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2547?
Check Price and Availability of 8016-2547, 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 8016-2547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2547
  • 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 8016-2547 available by request