8017-5936 Screening compound: 5-(4-chlorophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one

8017-5936 Screening compound: 5-(4-chlorophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
8017-5936 Screening compound: 5-(4-chlorophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5936
5-(4-chlorophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-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

8017-5936

Molecular Formula

C27H20ClFN2O3 (C27 H20 ClFN2 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(C(N(CCc1c[nH]c2c1cccc2)C1c(cc2)ccc2Cl)=O)=C1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C27H20ClFN2O3/c28-19-9-5-16(6-10-19)24-23(25(32)17-7-11-20(29)12-8-17)26(33)27(34)31(24)14-13-18-15-30-22-4-2-1-3-21(18)22/h1-12,15,24,30,33H,13-14H2/t24-/m1/s1

InChI Key

JPDRBVQYYHSTSR-XMMPIXPASA-N

MDL Number (MFCD)

MFCD06239788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-5.84

Polar Surface Area

54.676

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

8017-5936 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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 8017-5936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5936?
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What is the minimum amount of 8017-5936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5936
  • 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 8017-5936 available by request