3701-0119 Screening compound: 1-[(3-phenoxyphenyl)methyl]-4-(pyridine-4-carbonyl)piperazine

3701-0119 Screening compound: 1-[(3-phenoxyphenyl)methyl]-4-(pyridine-4-carbonyl)piperazine
3701-0119 Screening compound: 1-[(3-phenoxyphenyl)methyl]-4-(pyridine-4-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0119
1-[(3-phenoxyphenyl)methyl]-4-(pyridine-4-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

3701-0119

Molecular Formula

C23H23N3O2 (C23 H23 N3 O2)

Compound Name

1-[(3-phenoxyphenyl)methyl]-4-(pyridine-4-carbonyl)piperazine

IUPAC name

1-[(3-phenoxyphenyl)methyl]-4-(pyridine-4-carbonyl)piperazine

SMILES

O=C(c1ccncc1)N1CCN(Cc2cc(Oc3ccccc3)ccc2)CC1

InChI

InChI=1S/C23H23N3O2/c27-23(20-9-11-24-12-10-20)26-15-13-25(14-16-26)18-19-5-4-8-22(17-19)28-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2

InChI Key

BZXCDHZJIDTROH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107178

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

373.45

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

2.847

Distribution Coefficient, logD

2.798

Water Solubility, LogSw

-3.18

Polar Surface Area

36.603

Acid Dissociation Constant (pKa)

28.11

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3701-0119 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3701-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0119?
Check Price and Availability of 3701-0119, 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 3701-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0119
  • 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 3701-0119 available by request