3381-0203 Screening compound: 1-{4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl}-2-phenylethan-1-one

3381-0203 Screening compound: 1-{4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl}-2-phenylethan-1-one
3381-0203 Screening compound: 1-{4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl}-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0203
1-{4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl}-2-phenylethan-1-one

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

3381-0203

Molecular Formula

C24H26N2O2 (C24 H26 N2 O2)

Compound Name

1-{4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl}-2-phenylethan-1-one

IUPAC name

1-{4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl}-2-phenylethan-1-one

SMILES

COc1c(CN(CC2)CCN2C(Cc2ccccc2)=O)c2ccccc2cc1

InChI

InChI=1S/C24H26N2O2/c1-28-23-12-11-20-9-5-6-10-21(20)22(23)18-25-13-15-26(16-14-25)24(27)17-19-7-3-2-4-8-19/h2-12H,13-18H2,1H3

InChI Key

MBGVRQKBFYMZAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540647

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-4.21

Polar Surface Area

27.259

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

3381-0203 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 3381-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0203?
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What is the minimum amount of 3381-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0203
  • 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 3381-0203 available by request