8017-5929 Screening compound: 3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one

8017-5929 Screening compound: 3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
8017-5929 Screening compound: 3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5929
3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-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

8017-5929

Molecular Formula

C31H30N2O4 (C31 H30 N2 O4)

Compound Name

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

IUPAC name

3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxybenzoyl)-5-[4-(propan-2-yl)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)c1ccc(C(C(C(c(cc2)ccc2OC)=O)=C2O)N(CCc3c[nH]c4c3cccc4)C2=O)cc1

InChI

InChI=1S/C31H30N2O4/c1-19(2)20-8-10-21(11-9-20)28-27(29(34)22-12-14-24(37-3)15-13-22)30(35)31(36)33(28)17-16-23-18-32-26-7-5-4-6-25(23)26/h4-15,18-19,28,32,35H,16-17H2,1-3H3/t28-/m0/s1

InChI Key

GDZFYWMSAKINEC-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD06239822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.953

Distribution Coefficient, logD

5.950

Water Solubility, LogSw

-5.65

Polar Surface Area

62.220

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.58

8017-5929 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-5929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5929?
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What is the minimum amount of 8017-5929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5929
  • 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 8017-5929 available by request