3381-0236 Screening compound: 1-[(naphthalen-2-yl)methyl]-4-(pyridine-3-carbonyl)piperazine

3381-0236 Screening compound: 1-[(naphthalen-2-yl)methyl]-4-(pyridine-3-carbonyl)piperazine
3381-0236 Screening compound: 1-[(naphthalen-2-yl)methyl]-4-(pyridine-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0236
1-[(naphthalen-2-yl)methyl]-4-(pyridine-3-carbonyl)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

3381-0236

Molecular Formula

C21H21N3O (C21 H21 N3 O)

Compound Name

1-[(naphthalen-2-yl)methyl]-4-(pyridine-3-carbonyl)piperazine

IUPAC name

1-[(naphthalen-2-yl)methyl]-4-(pyridine-3-carbonyl)piperazine

SMILES

O=C(c1cnccc1)N1CCN(Cc2cc3ccccc3cc2)CC1

InChI

InChI=1S/C21H21N3O/c25-21(20-6-3-9-22-15-20)24-12-10-23(11-13-24)16-17-7-8-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2

InChI Key

LTPDEDVNKSDZMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816454

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.434

Water Solubility, LogSw

-2.76

Polar Surface Area

29.673

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3381-0236 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3381-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0236?
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What is the minimum amount of 3381-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0236
  • 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 3381-0236 available by request