D048-0083 Screening compound: N-ethyl-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxamide

D048-0083 Screening compound: N-ethyl-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxamide
D048-0083 Screening compound: N-ethyl-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0083
N-ethyl-1-(4-methylbenzenesulfonyl)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

D048-0083

Molecular Formula

C14H20N2O3S (C14 H20 N2 O3 S)

Compound Name

N-ethyl-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxamide

IUPAC name

N-ethyl-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxamide

SMILES

CCNC(C(CCC1)N1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C14H20N2O3S/c1-3-15-14(17)13-5-4-10-16(13)20(18,19)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,15,17)/t13-/m0/s1

InChI Key

RZHWDFFSPNNKOY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04214819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

1.620

Water Solubility, LogSw

-2.61

Polar Surface Area

57.097

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D048-0083 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 D048-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0083?
Check Price and Availability of D048-0083, 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 D048-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0083
  • 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 D048-0083 available by request