4340-1453 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-5-(pyridin-3-yl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

4340-1453 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-5-(pyridin-3-yl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
4340-1453 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-5-(pyridin-3-yl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1453
4-(4-fluorobenzoyl)-3-hydroxy-5-(pyridin-3-yl)-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

4340-1453

Molecular Formula

C22H16FN3O3 (C22 H16 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(C(N(Cc1cnccc1)C1c2cnccc2)=O)=C1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C22H16FN3O3/c23-17-7-5-15(6-8-17)20(27)18-19(16-4-2-10-25-12-16)26(22(29)21(18)28)13-14-3-1-9-24-11-14/h1-12,19,28H,13H2/t19-/m1/s1

InChI Key

DUBCBTCHDPNMKB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02990044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

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

1.615

Distribution Coefficient, logD

1.611

Water Solubility, LogSw

-1.47

Polar Surface Area

63.863

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

4340-1453 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4340-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1453?
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What is the minimum amount of 4340-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1453
  • 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 4340-1453 available by request