8601-0065 Screening compound: 1-(4-ethoxybenzenesulfonyl)-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide

8601-0065 Screening compound: 1-(4-ethoxybenzenesulfonyl)-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
8601-0065 Screening compound: 1-(4-ethoxybenzenesulfonyl)-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8601-0065
1-(4-ethoxybenzenesulfonyl)-N-(4-ethoxyphenyl)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

8601-0065

Molecular Formula

C21H26N2O5S (C21 H26 N2 O5 S)

Compound Name

1-(4-ethoxybenzenesulfonyl)-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide

IUPAC name

1-(4-ethoxybenzenesulfonyl)-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide

SMILES

CCOc(cc1)ccc1NC(C(CCC1)N1S(c(cc1)ccc1OCC)(=O)=O)=O

InChI

InChI=1S/C21H26N2O5S/c1-3-27-17-9-7-16(8-10-17)22-21(24)20-6-5-15-23(20)29(25,26)19-13-11-18(12-14-19)28-4-2/h7-14,20H,3-6,15H2,1-2H3,(H,22,24)/t20-/m0/s1

InChI Key

SLOWLCJWRBBTHL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07396643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.63

Polar Surface Area

70.125

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8601-0065 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8601-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8601-0065?
Check Price and Availability of 8601-0065, 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 8601-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8601-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8601-0065
  • 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 8601-0065 available by request