V018-9454 Screening compound: 1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-1-yl)ethan-1-one

V018-9454 Screening compound: 1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-1-yl)ethan-1-one
V018-9454 Screening compound: 1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9454
1-[3-(2-chlorophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-ethylpiperazin-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

V018-9454

Molecular Formula

C24H29ClN4O2 (C24 H29 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(CC(N(C(C2)c(cccc3)c3OC)N=C2c(cccc2)c2Cl)=O)CC1

InChI

InChI=1S/C24H29ClN4O2/c1-3-27-12-14-28(15-13-27)17-24(30)29-22(19-9-5-7-11-23(19)31-2)16-21(26-29)18-8-4-6-10-20(18)25/h4-11,22H,3,12-17H2,1-2H3/t22-/m1/s1

InChI Key

MKUATGFQHVZGFZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19885570

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-4.07

Polar Surface Area

41.758

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V018-9454 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V018-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9454?
Check Price and Availability of V018-9454, 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 V018-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9454
  • 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 V018-9454 available by request