8017-8316 Screening compound: 4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

8017-8316 Screening compound: 4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
8017-8316 Screening compound: 4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8316
4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-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

8017-8316

Molecular Formula

C22H17F2N3O3 (C22 H17 F2 N3 O3)

Compound Name

4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-25-dihydro-1H-pyrrol-2-one

SMILES

OC(C(N(CCc1c[nH]cn1)C1c2cccc(F)c2)=O)=C1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C22H17F2N3O3/c23-15-6-4-13(5-7-15)20(28)18-19(14-2-1-3-16(24)10-14)27(22(30)21(18)29)9-8-17-11-25-12-26-17/h1-7,10-12,19,29H,8-9H2,(H,25,26)/t19-/m1/s1

InChI Key

LFMHAUMOLPNFIH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06618554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.27

Polar Surface Area

66.599

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

8017-8316 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 8017-8316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8316?
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What is the minimum amount of 8017-8316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8316
  • 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 8017-8316 available by request