4340-0441 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4340-0441 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4340-0441 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0441
4-(4-fluorobenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-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

4340-0441

Molecular Formula

C27H31FN2O4 (C27 H31 FN2 O4)

Compound Name

4-(4-fluorobenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-fluorobenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)c1ccc(C(C(C(c(cc2)ccc2F)=O)=C2O)N(CCCN3CCOCC3)C2=O)cc1

InChI

InChI=1S/C27H31FN2O4/c1-18(2)19-4-6-20(7-5-19)24-23(25(31)21-8-10-22(28)11-9-21)26(32)27(33)30(24)13-3-12-29-14-16-34-17-15-29/h4-11,18,24,32H,3,12-17H2,1-2H3/t24-/m1/s1

InChI Key

JXAFLRQUEUHKRQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02986790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-3.90

Polar Surface Area

56.696

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

4340-0441 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 4340-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0441?
Check Price and Availability of 4340-0441, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4340-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0441
  • 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 4340-0441 available by request