8020-6291 Screening compound: 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one

8020-6291 Screening compound: 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
8020-6291 Screening compound: 4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6291
4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-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

8020-6291

Molecular Formula

C23H24FNO5 (C23 H24 FNO5)

Compound Name

4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCOc(cc1)ccc1C(C(C(c(cc1)ccc1F)N(CCCOC)C1=O)=C1O)=O

InChI

InChI=1S/C23H24FNO5/c1-3-30-18-11-7-16(8-12-18)21(26)19-20(15-5-9-17(24)10-6-15)25(13-4-14-29-2)23(28)22(19)27/h5-12,20,27H,3-4,13-14H2,1-2H3/t20-/m1/s1

InChI Key

XEIMHEJFFVOURG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03462329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.12

Polar Surface Area

60.543

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8020-6291 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-6291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6291?
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What is the minimum amount of 8020-6291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6291
  • 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 8020-6291 available by request