S263-0934 Screening compound: N3-(1-BENZYL-5-OXOTETRAHYDRO-1H-PYRROL-3-YL)-3-THIOPHENECARBOXAMIDE

S263-0934 Screening compound: N3-(1-BENZYL-5-OXOTETRAHYDRO-1H-PYRROL-3-YL)-3-THIOPHENECARBOXAMIDE
S263-0934 Screening compound: N3-(1-BENZYL-5-OXOTETRAHYDRO-1H-PYRROL-3-YL)-3-THIOPHENECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S263-0934
N3-(1-BENZYL-5-OXOTETRAHYDRO-1H-PYRROL-3-YL)-3-THIOPHENECARBOXAMIDE

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

S263-0934

Molecular Formula

C16H16N2O2S (C16 H16 N2 O2 S)

Compound Name

N3-(1-BENZYL-5-OXOTETRAHYDRO-1H-PYRROL-3-YL)-3-THIOPHENECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c1cscc1)NC(C1)CN(Cc2ccccc2)C1=O

InChI

InChI=1S/C16H16N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h1-7,11,14H,8-10H2,(H,17,20)/t14-/m0/s1

InChI Key

BJASAEPJTMOPPY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27617797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-2.39

Polar Surface Area

42.399

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S263-0934 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)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S263-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S263-0934?
Check Price and Availability of S263-0934, 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 S263-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S263-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S263-0934
  • 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 S263-0934 available by request