C590-0327 Screening compound: 1-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine

C590-0327 Screening compound: 1-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine
C590-0327 Screening compound: 1-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C590-0327
1-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-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

C590-0327

Molecular Formula

C22H23FN4O2 (C22 H23 FN4 O2)

Compound Name

1-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine

IUPAC name

1-[(4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

COc1cccc(-c2n[nH]c(C(N3CCN(Cc(cc4)ccc4F)CC3)=O)c2)c1

InChI

InChI=1S/C22H23FN4O2/c1-29-19-4-2-3-17(13-19)20-14-21(25-24-20)22(28)27-11-9-26(10-12-27)15-16-5-7-18(23)8-6-16/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)

InChI Key

MZOHRDOHDAIKLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.57

Polar Surface Area

50.461

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C590-0327 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C590-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C590-0327?
Check Price and Availability of C590-0327, 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 C590-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C590-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C590-0327
  • 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 C590-0327 available by request