8013-5307 Screening compound: 4-acetyl-1-(2-fluorophenyl)-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one

8013-5307 Screening compound: 4-acetyl-1-(2-fluorophenyl)-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
8013-5307 Screening compound: 4-acetyl-1-(2-fluorophenyl)-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5307
4-acetyl-1-(2-fluorophenyl)-3-hydroxy-5-phenyl-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

8013-5307

Molecular Formula

C18H14FNO3 (C18 H14 FNO3)

Compound Name

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

IUPAC name

4-acetyl-1-(2-fluorophenyl)-3-hydroxy-5-phenyl-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C(C(c1ccccc1)N(C1=O)c(cccc2)c2F)=C1O)=O

InChI

InChI=1S/C18H14FNO3/c1-11(21)15-16(12-7-3-2-4-8-12)20(18(23)17(15)22)14-10-6-5-9-13(14)19/h2-10,16,22H,1H3/t16-/m1/s1

InChI Key

VBKJDUHNKDSDJI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03764548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.321

Distribution Coefficient, logD

2.320

Water Solubility, LogSw

-2.51

Polar Surface Area

44.274

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

8013-5307 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8013-5307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5307?
Check Price and Availability of 8013-5307, 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 8013-5307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5307
  • 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 8013-5307 available by request