3381-0357 Screening compound: 1-(3-fluorobenzoyl)-4-[(pyridin-2-yl)methyl]piperazine

3381-0357 Screening compound: 1-(3-fluorobenzoyl)-4-[(pyridin-2-yl)methyl]piperazine
3381-0357 Screening compound: 1-(3-fluorobenzoyl)-4-[(pyridin-2-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0357
1-(3-fluorobenzoyl)-4-[(pyridin-2-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

3381-0357

Molecular Formula

C17H18FN3O (C17 H18 FN3 O)

Compound Name

1-(3-fluorobenzoyl)-4-[(pyridin-2-yl)methyl]piperazine

IUPAC name

1-(3-fluorobenzoyl)-4-[(pyridin-2-yl)methyl]piperazine

SMILES

O=C(c1cccc(F)c1)N1CCN(Cc2ncccc2)CC1

InChI

InChI=1S/C17H18FN3O/c18-15-5-3-4-14(12-15)17(22)21-10-8-20(9-11-21)13-16-6-1-2-7-19-16/h1-7,12H,8-11,13H2

InChI Key

VBHDSELGTWILCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816520

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

299.35

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

1.325

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-1.80

Polar Surface Area

29.970

Acid Dissociation Constant (pKa)

28.15

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3381-0357 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3381-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0357?
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What is the minimum amount of 3381-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0357
  • 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 3381-0357 available by request