3381-0227 Screening compound: 1-(2,6-dimethoxybenzoyl)-4-[(naphthalen-1-yl)methyl]piperazine

3381-0227 Screening compound: 1-(2,6-dimethoxybenzoyl)-4-[(naphthalen-1-yl)methyl]piperazine
3381-0227 Screening compound: 1-(2,6-dimethoxybenzoyl)-4-[(naphthalen-1-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0227
1-(2,6-dimethoxybenzoyl)-4-[(naphthalen-1-yl)methyl]piperazine

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

3381-0227

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

1-(2,6-dimethoxybenzoyl)-4-[(naphthalen-1-yl)methyl]piperazine

IUPAC name

1-(26-dimethoxybenzoyl)-4-[(naphthalen-1-yl)methyl]piperazine

SMILES

COc1cccc(OC)c1C(N1CCN(Cc2cccc3ccccc23)CC1)=O

InChI

InChI=1S/C24H26N2O3/c1-28-21-11-6-12-22(29-2)23(21)24(27)26-15-13-25(14-16-26)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-12H,13-17H2,1-2H3

InChI Key

WORNYIIJZROOGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816446

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.44

Polar Surface Area

35.416

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

3381-0227 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3381-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0227?
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What is the minimum amount of 3381-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0227
  • 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 3381-0227 available by request