3572-6014 Screening compound: 4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

3572-6014 Screening compound: 4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
3572-6014 Screening compound: 4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3572-6014
4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-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

3572-6014

Molecular Formula

C23H17FN2O3 (C23 H17 FN2 O3)

Compound Name

4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-25-dihydro-1H-pyrrol-2-one

SMILES

OC(C(N(Cc1cnccc1)C1c(cc2)ccc2F)=O)=C1C(c1ccccc1)=O

InChI

InChI=1S/C23H17FN2O3/c24-18-10-8-16(9-11-18)20-19(21(27)17-6-2-1-3-7-17)22(28)23(29)26(20)14-15-5-4-12-25-13-15/h1-13,20,28H,14H2/t20-/m1/s1

InChI Key

KPWZCQQITRBHAG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02052834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-2.61

Polar Surface Area

54.345

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

3572-6014 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 3572-6014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3572-6014?
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What is the minimum amount of 3572-6014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3572-6014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3572-6014
  • 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 3572-6014 available by request