P227-0594 Screening compound: 1-(4-bromobenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine

P227-0594 Screening compound: 1-(4-bromobenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
P227-0594 Screening compound: 1-(4-bromobenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P227-0594
1-(4-bromobenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine

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

P227-0594

Molecular Formula

C22H22BrN3O2 (C22 H22 BrN3 O2)

Compound Name

1-(4-bromobenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine

IUPAC name

1-(4-bromobenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine

SMILES

COc1cccc(-c2n[nH]c(C(CC3)CCN3C(c(cc3)ccc3Br)=O)c2)c1

InChI

InChI=1S/C22H22BrN3O2/c1-28-19-4-2-3-17(13-19)21-14-20(24-25-21)15-9-11-26(12-10-15)22(27)16-5-7-18(23)8-6-16/h2-8,13-15H,9-12H2,1H3,(H,24,25)

InChI Key

XSQIATLERFIGDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.60

Polar Surface Area

46.649

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P227-0594 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with P227-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P227-0594?
Check Price and Availability of P227-0594, 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 P227-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P227-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P227-0594
  • 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 P227-0594 available by request