8011-5642 Screening compound: 4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1,5-dihydro-2H-pyrrol-2-one

8011-5642 Screening compound: 4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1,5-dihydro-2H-pyrrol-2-one
8011-5642 Screening compound: 4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5642
4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-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

8011-5642

Molecular Formula

C18H21FN2O4 (C18 H21 FN2 O4)

Compound Name

4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

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

SMILES

CC(C(C(c1cccc(F)c1)N(CCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C18H21FN2O4/c1-12(22)15-16(13-3-2-4-14(19)11-13)21(18(24)17(15)23)6-5-20-7-9-25-10-8-20/h2-4,11,16,23H,5-10H2,1H3/t16-/m1/s1

InChI Key

UQTCWPGVXAPEKX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02231068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.716

Distribution Coefficient, logD

0.700

Water Solubility, LogSw

-1.39

Polar Surface Area

57.056

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

8011-5642 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8011-5642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5642?
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What is the minimum amount of 8011-5642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5642
  • 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 8011-5642 available by request