S291-0344 Screening compound: 1-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

S291-0344 Screening compound: 1-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
S291-0344 Screening compound: 1-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S291-0344
1-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-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

S291-0344

Molecular Formula

C18H18FNO2 (C18 H18 FNO2)

Compound Name

1-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

IUPAC name

1-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

SMILES

COc1ccc(C(CC2)N(Cc(cccc3)c3F)C2=O)cc1

InChI

InChI=1S/C18H18FNO2/c1-22-15-8-6-13(7-9-15)17-10-11-18(21)20(17)12-14-4-2-3-5-16(14)19/h2-9,17H,10-12H2,1H3/t17-/m0/s1

InChI Key

NYSMWWWYTWGCHF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29768293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.49

Polar Surface Area

24.286

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

S291-0344 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S291-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S291-0344?
Check Price and Availability of S291-0344, 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 S291-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S291-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S291-0344
  • 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 S291-0344 available by request