8017-3415 Screening compound: 4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one

8017-3415 Screening compound: 4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one
8017-3415 Screening compound: 4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3415
4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-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

8017-3415

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(2-piperazinoethyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-[2-(piperazin-1-yl)ethyl]-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1ccc(C(C(C(c2ccccc2)=O)=C2O)N(CCN3CCNCC3)C2=O)cc1

InChI

InChI=1S/C24H27N3O3/c1-17-7-9-18(10-8-17)21-20(22(28)19-5-3-2-4-6-19)23(29)24(30)27(21)16-15-26-13-11-25-12-14-26/h2-10,21,25,29H,11-16H2,1H3/t21-/m0/s1

InChI Key

HXQAXDASIMATJC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03212442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.401

Distribution Coefficient, logD

0.950

Water Solubility, LogSw

-2.80

Polar Surface Area

60.748

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8017-3415 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-3415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3415?
Check Price and Availability of 8017-3415, 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 8017-3415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3415
  • 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 8017-3415 available by request