E822-0653 Screening compound: 1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

E822-0653 Screening compound: 1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
E822-0653 Screening compound: 1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E822-0653
1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]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

E822-0653

Molecular Formula

C23H23F3N4O2 (C23 H23 F3 N4 O2)

Compound Name

1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

CCOc(cc1)ccc1-c1n[nH]c(C(N(CC2)CCN2c2cccc(C(F)(F)F)c2)=O)c1

InChI

InChI=1S/C23H23F3N4O2/c1-2-32-19-8-6-16(7-9-19)20-15-21(28-27-20)22(31)30-12-10-29(11-13-30)18-5-3-4-17(14-18)23(24,25)26/h3-9,14-15H,2,10-13H2,1H3,(H,27,28)

InChI Key

SIIJQCFCBRLDPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.53

Polar Surface Area

49.760

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E822-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E822-0653?
Check Price and Availability of E822-0653, 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 E822-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E822-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E822-0653
  • 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 E822-0653 available by request