S959-0976 Screening compound: 4-cyano-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}benzamide

S959-0976 Screening compound: 4-cyano-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}benzamide
S959-0976 Screening compound: 4-cyano-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-0976
4-cyano-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}benzamide

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

S959-0976

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

4-cyano-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}benzamide

IUPAC name

4-cyano-N-{2-[3-(morpholin-4-yl)-2-oxopyrrolidin-1-yl]ethyl}benzamide

SMILES

N#Cc(cc1)ccc1C(NCCN(CCC1N2CCOCC2)C1=O)=O

InChI

InChI=1S/C18H22N4O3/c19-13-14-1-3-15(4-2-14)17(23)20-6-8-22-7-5-16(18(22)24)21-9-11-25-12-10-21/h1-4,16H,5-12H2,(H,20,23)/t16-/m0/s1

InChI Key

OPNOBGFPLRVKBZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32231332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.152

Distribution Coefficient, logD

-0.154

Water Solubility, LogSw

-1.59

Polar Surface Area

69.251

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S959-0976 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S959-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-0976?
Check Price and Availability of S959-0976, 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 S959-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-0976
  • 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 S959-0976 available by request