8017-5953 Screening compound: 4-(4-chlorobenzoyl)-5-(4-ethoxyphenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one

8017-5953 Screening compound: 4-(4-chlorobenzoyl)-5-(4-ethoxyphenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
8017-5953 Screening compound: 4-(4-chlorobenzoyl)-5-(4-ethoxyphenyl)-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 8017-5953
4-(4-chlorobenzoyl)-5-(4-ethoxyphenyl)-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

8017-5953

Molecular Formula

C29H25ClN2O4 (C29 H25 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(C(C(c(cc2)ccc2Cl)=O)=C2O)N(CCc3c[nH]c4c3cccc4)C2=O)cc1

InChI

InChI=1S/C29H25ClN2O4/c1-2-36-22-13-9-18(10-14-22)26-25(27(33)19-7-11-21(30)12-8-19)28(34)29(35)32(26)16-15-20-17-31-24-6-4-3-5-23(20)24/h3-14,17,26,31,34H,2,15-16H2,1H3/t26-/m1/s1

InChI Key

WQYZZCNLGWPAQF-AREMUKBSSA-N

MDL Number (MFCD)

MFCD06239809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.98

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

5.596

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.95

Polar Surface Area

61.800

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.24

8017-5953 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8017-5953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5953?
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What is the minimum amount of 8017-5953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5953
  • 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 8017-5953 available by request