8019-4067 Screening compound: 2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,5-dimethyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one

8019-4067 Screening compound: 2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,5-dimethyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one
8019-4067 Screening compound: 2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,5-dimethyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4067
2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,5-dimethyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-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

8019-4067

Molecular Formula

C25H32N4O4S (C25 H32 N4 O4 S)

Compound Name

2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,5-dimethyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-15-dimethyl-4-(propan-2-yl)-23-dihydro-1H-pyrazol-3-one

SMILES

CC(C)C(C1=O)=C(C)N(C)N1c(cc1)ccc1S(N(CC1)CCN1c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C25H32N4O4S/c1-18(2)24-19(3)26(4)29(25(24)30)21-8-12-23(13-9-21)34(31,32)28-16-14-27(15-17-28)20-6-10-22(33-5)11-7-20/h6-13,18H,14-17H2,1-5H3

InChI Key

IQMCKCWTFWJDRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.42

Polar Surface Area

62.936

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8019-4067 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-4067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4067?
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What is the minimum amount of 8019-4067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4067
  • 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 8019-4067 available by request