8009-8464 Screening compound: 3-{[4-(ethoxycarbonyl)-4-phenylpiperidin-1-yl]methyl}benzoic acid

8009-8464 Screening compound: 3-{[4-(ethoxycarbonyl)-4-phenylpiperidin-1-yl]methyl}benzoic acid
8009-8464 Screening compound: 3-{[4-(ethoxycarbonyl)-4-phenylpiperidin-1-yl]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8464
3-{[4-(ethoxycarbonyl)-4-phenylpiperidin-1-yl]methyl}benzoic acid

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

8009-8464

Molecular Formula

C22H25NO4 (C22 H25 NO4)

Compound Name

3-{[4-(ethoxycarbonyl)-4-phenylpiperidin-1-yl]methyl}benzoic acid

IUPAC name

3-{[4-(ethoxycarbonyl)-4-phenylpiperidin-1-yl]methyl}benzoic acid

SMILES

CCOC(C1(CCN(Cc2cccc(C(O)=O)c2)CC1)c1ccccc1)=O

InChI

InChI=1S/C22H25NO4/c1-2-27-21(26)22(19-9-4-3-5-10-19)11-13-23(14-12-22)16-17-7-6-8-18(15-17)20(24)25/h3-10,15H,2,11-14,16H2,1H3,(H,24,25)

InChI Key

TVRJZAMNPMXVJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820703

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.09

Polar Surface Area

52.861

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8009-8464 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-8464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8464?
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What is the minimum amount of 8009-8464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8464
  • 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 8009-8464 available by request