V022-8239 Screening compound: 2-(4-benzylpiperazin-1-yl)-1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

V022-8239 Screening compound: 2-(4-benzylpiperazin-1-yl)-1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
V022-8239 Screening compound: 2-(4-benzylpiperazin-1-yl)-1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8239
2-(4-benzylpiperazin-1-yl)-1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

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

V022-8239

Molecular Formula

C29H31ClN4O2 (C29 H31 ClN4 O2)

Compound Name

2-(4-benzylpiperazin-1-yl)-1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

2-(4-benzylpiperazin-1-yl)-1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

COc1ccc(C(C2)N(C(CN3CCN(Cc4ccccc4)CC3)=O)N=C2c(cccc2)c2Cl)cc1

InChI

InChI=1S/C29H31ClN4O2/c1-36-24-13-11-23(12-14-24)28-19-27(25-9-5-6-10-26(25)30)31-34(28)29(35)21-33-17-15-32(16-18-33)20-22-7-3-2-4-8-22/h2-14,28H,15-21H2,1H3/t28-/m1/s1

InChI Key

AYTGMQWQJOQKOS-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19885472

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.701

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.87

Polar Surface Area

41.676

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V022-8239 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V022-8239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8239?
Check Price and Availability of V022-8239, 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 V022-8239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8239
  • 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 V022-8239 available by request