D345-0110 Screening compound: 1-(3-methylbenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

D345-0110 Screening compound: 1-(3-methylbenzoyl)-4-[(pyridin-4-yl)methyl]piperazine
D345-0110 Screening compound: 1-(3-methylbenzoyl)-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0110
1-(3-methylbenzoyl)-4-[(pyridin-4-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

D345-0110

Molecular Formula

C18H21N3O (C18 H21 N3 O)

Compound Name

1-(3-methylbenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-(3-methylbenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

SMILES

Cc1cccc(C(N2CCN(Cc3ccncc3)CC2)=O)c1

InChI

InChI=1S/C18H21N3O/c1-15-3-2-4-17(13-15)18(22)21-11-9-20(10-12-21)14-16-5-7-19-8-6-16/h2-8,13H,9-12,14H2,1H3

InChI Key

FCIXHUFMCPRJNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11739132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

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

1.349

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-1.47

Polar Surface Area

29.855

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D345-0110 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D345-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0110?
Check Price and Availability of D345-0110, 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 D345-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0110
  • 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 D345-0110 available by request