S291-0313 Screening compound: 5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-2-pyrrolidinone

S291-0313 Screening compound: 5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-2-pyrrolidinone
S291-0313 Screening compound: 5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound S291-0313
5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-2-pyrrolidinone

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

S291-0313

Molecular Formula

C17H24N2O3 (C17 H24 N2 O3)

Compound Name

5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-2-pyrrolidinone

IUPAC name

5-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]pyrrolidin-2-one

SMILES

COc1ccc(C(CC2)N(CCN3CCOCC3)C2=O)cc1

InChI

InChI=1S/C17H24N2O3/c1-21-15-4-2-14(3-5-15)16-6-7-17(20)19(16)9-8-18-10-12-22-13-11-18/h2-5,16H,6-13H2,1H3/t16-/m1/s1

InChI Key

QAYFBIXDNVBDAS-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD28805798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.256

Distribution Coefficient, logD

1.241

Water Solubility, LogSw

-1.69

Polar Surface Area

36.156

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S291-0313 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S291-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S291-0313?
Check Price and Availability of S291-0313, 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 S291-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S291-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S291-0313
  • 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 S291-0313 available by request