P804-0067 Screening compound: N,N-dimethyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carbonyl]aniline

P804-0067 Screening compound: N,N-dimethyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carbonyl]aniline
P804-0067 Screening compound: N,N-dimethyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carbonyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound P804-0067
N,N-dimethyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carbonyl]aniline

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

P804-0067

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

N,N-dimethyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carbonyl]aniline

IUPAC name

NN-dimethyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)piperazine-1-carbonyl]aniline

SMILES

CN(C)c(cc1)ccc1C(N(CC1)CCN1c1cc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C22H25N5O/c1-25(2)19-10-8-18(9-11-19)22(28)27-14-12-26(13-15-27)21-16-20(23-24-21)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24)

InChI Key

LNIGBWDRLMUKGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.70

Polar Surface Area

44.905

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P804-0067 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P804-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P804-0067?
Check Price and Availability of P804-0067, 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 P804-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P804-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P804-0067
  • 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 P804-0067 available by request