8017-4162 Screening compound: 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

8017-4162 Screening compound: 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
8017-4162 Screening compound: 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4162
5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

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

8017-4162

Molecular Formula

C25H21N3O5 (C25 H21 N3 O5)

Compound Name

5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc1)ccc1N(C(c(cc1)c2cc1C(N(CC1)CCN1C(c1ccco1)=O)=O)=O)C2=O

InChI

InChI=1S/C25H21N3O5/c1-16-4-7-18(8-5-16)28-23(30)19-9-6-17(15-20(19)24(28)31)22(29)26-10-12-27(13-11-26)25(32)21-3-2-14-33-21/h2-9,14-15H,10-13H2,1H3

InChI Key

WBDSHORYMQHUKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.446

Distribution Coefficient, logD

2.446

Water Solubility, LogSw

-2.86

Polar Surface Area

70.563

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-4162 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 8017-4162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4162?
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What is the minimum amount of 8017-4162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4162
  • 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 8017-4162 available by request