V017-8809 Screening compound: ethyl 4-{2-[3-(4-fluorophenyl)-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperazine-1-carboxylate

V017-8809 Screening compound: ethyl 4-{2-[3-(4-fluorophenyl)-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperazine-1-carboxylate
V017-8809 Screening compound: ethyl 4-{2-[3-(4-fluorophenyl)-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8809
ethyl 4-{2-[3-(4-fluorophenyl)-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperazine-1-carboxylate

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

V017-8809

Molecular Formula

C25H29FN4O3 (C25 H29 FN4 O3)

Compound Name

ethyl 4-{2-[3-(4-fluorophenyl)-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[3-(4-fluorophenyl)-5-(2-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CC(N(C(C2)c3c(C)cccc3)N=C2c(cc2)ccc2F)=O)CC1)=O

InChI

InChI=1S/C25H29FN4O3/c1-3-33-25(32)29-14-12-28(13-15-29)17-24(31)30-23(21-7-5-4-6-18(21)2)16-22(27-30)19-8-10-20(26)11-9-19/h4-11,23H,3,12-17H2,1-2H3/t23-/m1/s1

InChI Key

AOUPXIIYPQCCIS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19886172

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-3.93

Polar Surface Area

53.371

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V017-8809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8809?
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What is the minimum amount of V017-8809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8809
  • 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 V017-8809 available by request