S263-0938 Screening compound: N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-cyanobenzamide

S263-0938 Screening compound: N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-cyanobenzamide
S263-0938 Screening compound: N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S263-0938
N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-cyanobenzamide

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

S263-0938

Molecular Formula

C19H17N3O2 (C19 H17 N3 O2)

Compound Name

N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-cyanobenzamide

IUPAC name

N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-cyanobenzamide

SMILES

N#Cc(cc1)ccc1C(NC(C1)CN(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C19H17N3O2/c20-11-14-6-8-16(9-7-14)19(24)21-17-10-18(23)22(13-17)12-15-4-2-1-3-5-15/h1-9,17H,10,12-13H2,(H,21,24)/t17-/m1/s1

InChI Key

HRVUQLIZXFSJSJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27617798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

1.642

Water Solubility, LogSw

-2.08

Polar Surface Area

58.437

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

S263-0938 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S263-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S263-0938?
Check Price and Availability of S263-0938, 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 S263-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S263-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S263-0938
  • 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 S263-0938 available by request