8017-5927 Screening compound: 5-(2-fluorophenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one

8017-5927 Screening compound: 5-(2-fluorophenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one
8017-5927 Screening compound: 5-(2-fluorophenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5927
5-(2-fluorophenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-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

8017-5927

Molecular Formula

C28H23FN2O4 (C28 H23 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(C(C(c(cccc1)c1F)N(CCc1c[nH]c2c1cccc2)C1=O)=C1O)=O

InChI

InChI=1S/C28H23FN2O4/c1-35-19-12-10-17(11-13-19)26(32)24-25(21-7-2-4-8-22(21)29)31(28(34)27(24)33)15-14-18-16-30-23-9-5-3-6-20(18)23/h2-13,16,25,30,33H,14-15H2,1H3/t25-/m1/s1

InChI Key

NSNGEGAJUYTXHS-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06239819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.798

Water Solubility, LogSw

-4.45

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

14.29

8017-5927 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 8017-5927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5927?
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What is the minimum amount of 8017-5927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5927
  • 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 8017-5927 available by request