C590-0028 Screening compound: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine

C590-0028 Screening compound: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
C590-0028 Screening compound: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C590-0028
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-phenyl-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

C590-0028

Molecular Formula

C22H23FN4O2 (C22 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CN(CC1)CCN1C(c1cc(-c2ccccc2)n[nH]1)=O)c1)c1F

InChI

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

InChI Key

NQWMPJDOEHXCJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773127

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

3.247

Distribution Coefficient, logD

3.242

Water Solubility, LogSw

-3.49

Polar Surface Area

50.547

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C590-0028 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C590-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C590-0028?
Check Price and Availability of C590-0028, 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 C590-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C590-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C590-0028
  • 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 C590-0028 available by request