8014-9912 Screening compound: N~1~-(2-methylphenyl)-4-(5-oxotetrahydro-1H-pyrrol-3-yl)-1-benzenesulfonamide

8014-9912 Screening compound: N~1~-(2-methylphenyl)-4-(5-oxotetrahydro-1H-pyrrol-3-yl)-1-benzenesulfonamide
8014-9912 Screening compound: N~1~-(2-methylphenyl)-4-(5-oxotetrahydro-1H-pyrrol-3-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9912
N~1~-(2-methylphenyl)-4-(5-oxotetrahydro-1H-pyrrol-3-yl)-1-benzenesulfonamide

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

8014-9912

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

N~1~-(2-methylphenyl)-4-(5-oxotetrahydro-1H-pyrrol-3-yl)-1-benzenesulfonamide

IUPAC name

N-(2-methylphenyl)-4-(5-oxopyrrolidin-3-yl)benzene-1-sulfonamide

SMILES

Cc(cccc1)c1NS(c1ccc(C(C2)CNC2=O)cc1)(=O)=O

InChI

InChI=1S/C17H18N2O3S/c1-12-4-2-3-5-16(12)19-23(21,22)15-8-6-13(7-9-15)14-10-17(20)18-11-14/h2-9,14,19H,10-11H2,1H3,(H,18,20)/t14-/m0/s1

InChI Key

AOENGEMKZXGRPE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03821483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.80

Polar Surface Area

65.431

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

8014-9912 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8014-9912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9912?
Check Price and Availability of 8014-9912, 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 8014-9912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9912
  • 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 8014-9912 available by request