8011-1294 Screening compound: 1-(benzenesulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-2-carboxamide

8011-1294 Screening compound: 1-(benzenesulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-2-carboxamide
8011-1294 Screening compound: 1-(benzenesulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1294
1-(benzenesulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-2-carboxamide

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

8011-1294

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

1-(benzenesulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-2-carboxamide

IUPAC name

1-(benzenesulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-2-carboxamide

SMILES

CC(C)c1ccc(CNC(C(CCC2)N2S(c2ccccc2)(=O)=O)=O)cc1

InChI

InChI=1S/C21H26N2O3S/c1-16(2)18-12-10-17(11-13-18)15-22-21(24)20-9-6-14-23(20)27(25,26)19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)/t20-/m0/s1

InChI Key

JIFZUSLTYVWJNU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02615318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.71

Polar Surface Area

57.200

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8011-1294 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1294?
Check Price and Availability of 8011-1294, 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 8011-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1294
  • 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 8011-1294 available by request