D345-0005 Screening compound: 1-(4-tert-butylbenzoyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

D345-0005 Screening compound: 1-(4-tert-butylbenzoyl)-4-[2-(pyridin-2-yl)ethyl]piperazine
D345-0005 Screening compound: 1-(4-tert-butylbenzoyl)-4-[2-(pyridin-2-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0005
1-(4-tert-butylbenzoyl)-4-[2-(pyridin-2-yl)ethyl]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

D345-0005

Molecular Formula

C22H29N3O (C22 H29 N3 O)

Compound Name

1-(4-tert-butylbenzoyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

IUPAC name

1-(4-tert-butylbenzoyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

SMILES

CC(C)(C)c(cc1)ccc1C(N1CCN(CCc2ncccc2)CC1)=O

InChI

InChI=1S/C22H29N3O/c1-22(2,3)19-9-7-18(8-10-19)21(26)25-16-14-24(15-17-25)13-11-20-6-4-5-12-23-20/h4-10,12H,11,13-17H2,1-3H3

InChI Key

ACPPIXJDDDXVPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

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

3.455

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.35

Polar Surface Area

29.949

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D345-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D345-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0005?
Check Price and Availability of D345-0005, 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 D345-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0005
  • 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 D345-0005 available by request